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CAS 57103-57-8 (isomer) ; 61080-23-7 (isomer); 67314-98-1 (isomer)

CAS 57103-57-8 (isomer) ; 61080-23-7 (isomer); 67314-98-1 (isomer) matches 0 EU annex records across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

PubChem 2D chemical structure for CAS 57103-57-8

CAS 57103-57-8PubChem CID 162807

Glyceollin I

IUPAC name: (2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol

Molecular formula: C20H18O5
Molecular weight: 338.4 g/mol
Exact mass: 338.11542367 Da
XLogP3: 2.5
Topological polar surface area: 68.2 Å²
Hydrogen-bond donors: 2
Hydrogen-bond acceptors: 5
Covalent units: 1
Defined stereocentres: 2

Also known as

(-)-Glyceollin I(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo(11.8.0.02,10.04,9.014,19)henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diolRefChem:66320217,17-dimethyl-3,12,18-trioxapentacyclo(11.8.0.02,10.04,9.014,19)henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diolGlyceollin6461TV6UCH(-) - glyceollin IUNII-6461TV6UCH

13 more reported names

GlyceollinsGlyceolin(6aS,11aS)-2,2-dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diolUNII-Y43CLK47ROY43CLK47ROCHEBI:16470Glyceollin I, II & III (mixture)(6aS,11aS)-2,2-Dimethyl-2H,6H-benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol(-)-Glyceollin I, II & III (mixture)2H,6H-Benzofuro(3,2-c)pyrano(2,3-h)(1)benzopyran-6a,9(11aH)-diol, 2,2-dimethyl-(6aS,11aS)-2,2-Dimethyl-2H,6H-benzo[4,5]furo[2,3-d]benzo[1,2-b:5,6-b']dipyran-6a,9(11aH)-diol2H,6H-BENZOFURO(3,2-C)PYRANO(2,3-H)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 2,2-DIMETHYL-, (6AS,11AS)-2H,6H-BENZOFURO(3,2-C)PYRANO(2,3-H)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 2,2-DIMETHYL-, (6AS-CIS)-

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External database identifiers

ChEBI:CHEBI:16470
ChEMBL:CHEMBL1774987
EPA DTXSID:DTXSID10205726
PubMed:22655912
PubMed:22472325
PubMed:22409158
PubMed:22246209
PubMed:22126086
PubMed:22054259
PubMed:21988571
PubMed:21917419
PubMed:21747689
PubMed:21725032
PubMed:21671066
PubMed:21561073

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

PubChem 2D chemical structure for CAS 61080-23-7

CAS 61080-23-7PubChem CID 11954193

Glyceollin Iii

IUPAC name: (1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol

Molecular formula: C20H18O5
Molecular weight: 338.4 g/mol
Exact mass: 338.11542367 Da
XLogP3: 2.9
Topological polar surface area: 68.2 Å²
Hydrogen-bond donors: 2
Hydrogen-bond acceptors: 5
Covalent units: 1
Defined stereocentres: 3

Also known as

629FG6XLLLCHEBI:52086(2S,6aS,11aS)-2-(prop-1-en-2-yl)-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene-6a,9(11aH)-diol(1S,6S,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo(11.7.0.02,10.04,8.014,19)icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol(2S,6aS,11aS)-2-(prop-1-en-2-yl)-1,2-dihydro-6H-(1)benzofuro(3,2-c)furo(3,2-g)chromene-6a,9(11aH)-diolRefChem:1437696H-Benzofuro(3,2-c)furo(3,2-g)(1)benzopyran-6a,9(11aH)-diol1,2-dihydro-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,11aalpha))-

6 more reported names

UNII-629FG6XLLL6H-Benzofuro(3,2-c)furo(3,2-g)(1)benzopyran-6a,9(11aH)-diol, 1,2-dihydro-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,11aalpha))-(2S,6aS,11aS)-2-(Prop-1-en-2-yl)-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol(2S,6aS,11aS)-2-Isopropenyl-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene-6a,9(11aH)-diol6H-BENZOFURO(3,2-C)FURO(3,2-G)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 1,2-DIHYDRO-2-(1-METHYLETHENYL)-, (2S,6AS,11AS)-6H-BENZOFURO(3,2-C)FURO(3,2-G)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 1,2-DIHYDRO-2-(1-METHYLETHENYL)-, (2S-(2.ALPHA.,6A.BETA.,11A.BETA.))-

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External database identifiers

ChEBI:CHEBI:52086
ChEMBL:CHEMBL2229450
EPA DTXSID:DTXSID20976571

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

PubChem 2D chemical structure for CAS 67314-98-1

CAS 67314-98-1PubChem CID 181883

Glyceollin Ii

IUPAC name: (2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diol

Molecular formula: C20H18O5
Molecular weight: 338.4 g/mol
Exact mass: 338.11542367 Da
XLogP3: 2.5
Topological polar surface area: 68.2 Å²
Hydrogen-bond donors: 2
Hydrogen-bond acceptors: 5
Covalent units: 1
Defined stereocentres: 2

Also known as

(-)-Glyceollin II5P7V60RWVK3H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7a,10(12ah)-diol, 3,3-dimethyl-, (7as-cis)-3H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7a,10(12ah)-diol, 3,3-dimethyl-, (7as,12aS)-CHEBI:52127(2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(13),4(9),5,7,14,18,20-heptaene-6,10-diolRefChem:143768UNII-5P7V60RWVK

3 more reported names

(7aS,12aS)-3,3-Dimethyl-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-7a,10(12aH)-diol(7aS,12aS)-3,3-Dimethyl-3H,7H-benzo[4,5]furo[2,3-d]benzo[1,2-b:5,4-b']dipyran-7a,10(12aH)-diol(7S,12aS)-3,3-dimethyl-3H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene-7a,10(12aH)-diol

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External database identifiers

ChEBI:CHEBI:52127
ChEMBL:CHEMBL2229451
EPA DTXSID:DTXSID80217674

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

Records for CAS 57103-57-8 (isomer) ; 61080-23-7 (isomer); 67314-98-1 (isomer)

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