(Q104970729)

English

3-[6,10-Dimethyl-7-(3,4,5-trihydroxyoxan-2-yl)oxyundeca-3,5,9-trien-2-ylidene]-7-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-2-one

group of stereoisomers with the chemical formula C₃₅H₅₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

malabaricane triterpenoid

1 reference

inferred from

malabaricane triterpenoid

mass

586.386954068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₄O₇

0 references

canonical SMILES

O=C1C(=C(C=CC=C(C)C(OC2OCC(O)C(O)C2O)CC=C(C)C)C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3C1

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Identifiers

InChI

InChI=1S/C35H54O7/c1-20(2)12-13-25(42-32-31(40)30(39)24(37)19-41-32)21(3)10-9-11-22(4)29-23(36)18-27-34(7)17-15-28(38)33(5,6)26(34)14-16-35(27,29)8/h9-12,24-28,30-32,37-40H,13-19H2,1-8H3

0 references

InChIKey

CVGCKYFLYRWSIQ-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CVGCKYFLYRWSIQ-UHFFFAOYSA-N

(Q104970729)

3-[6,10-Dimethyl-7-(3,4,5-trihydroxyoxan-2-yl)oxyundeca-3,5,9-trien-2-ylidene]-7-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-2-one

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