(Q104969993)

English

9,20-Dihydroxy-8,8,14,15,19,19-hexamethyl-10-(2-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

group of stereoisomers with the chemical formula C₃₅H₅₂O₇

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

584.371304004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₇

0 references

canonical SMILES

O=C(OC1C(O)C(C)(C)CC2C3=CCC4C(C)(CCC5C(C)(C)C6(O)OCC45CC6)C3(C)CCC12C(=O)O)C(=CC)C

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Identifiers

InChI

InChI=1S/C35H52O7/c1-9-20(2)27(37)42-26-25(36)29(3,4)18-22-21-10-11-24-32(8,31(21,7)14-16-34(22,26)28(38)39)13-12-23-30(5,6)35(40)17-15-33(23,24)19-41-35/h9-10,22-26,36,40H,11-19H2,1-8H3,(H,38,39)

0 references

InChIKey

CTQRAHWNNVEBTE-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTQRAHWNNVEBTE-UHFFFAOYSA-N

(Q104969993)

9,20-Dihydroxy-8,8,14,15,19,19-hexamethyl-10-(2-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

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Identifiers

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