(Q105150618)

English

3-[(3aS,5aR,6S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

group of stereoisomers with the chemical formula C₂₇H₄₂O₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

430.30830982399993 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₄₂O₄

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canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C4(OC(=O)CC4)C

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isomeric SMILES

C=C(C)C1CC[C@]2(C)[C@H](CC[C@H]3C([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O

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Identifiers

InChI

InChI=1S/C27H42O4/c1-17(2)18-9-15-26(5)21(24(18,3)13-11-22(28)29)8-7-19-20(10-14-25(19,26)4)27(6)16-12-23(30)31-27/h18-21H,1,7-16H2,2-6H3,(H,28,29)/t18?,19-,20?,21+,24-,25+,26+,27-/m0/s1

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InChIKey

LEKUPXHLKIIVCR-HYWMKWNKSA-N

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PubChem CID

138113952

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LEKUPXHLKIIVCR-HYWMKWNKSA-N

(Q105150618)

3-[(3aS,5aR,6S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

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