(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

Compound number
MolPort-005-945-473
IUPAC
(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
IUPAC traditional
glyceollin III
SMILES
CC(=C)[C@@H]1Cc2cc3[C@@H]4Oc5cc(O)ccc5[C@]4(O)COc3cc2O1 |r|
InChI key
MIYTVBARXCVVHZ-RYGJVYDSSA-N
Molecular formula
Molecular weight
338.359
Solubility
not available

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Compound identifiers

Compound number
MolPort-005-945-473

Names, Synonyms and 3rd Party Identifiers

InChI

InChI
1/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1
InChI key
MIYTVBARXCVVHZ-RYGJVYDSSA-N

Formula

Molecular formula
C20H18O5
Molecular weight
338.359

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