(Q105324726)

English

(4,5,9,9,13,19,20-Heptamethyl-23-oxo-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) benzoate

group of stereoisomers with the chemical formula C₃₇H₅₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

560.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₂O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC4OC(=O)C56CCC(C)C(C)C6C4C3(C)CC5)C1(C)C)C=7C=CC=CC7

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Identifiers

InChI

InChI=1S/C37H52O4/c1-22-13-18-37-20-19-36(7)30(29(37)23(22)2)25(40-32(37)39)21-27-34(5)16-15-28(41-31(38)24-11-9-8-10-12-24)33(3,4)26(34)14-17-35(27,36)6/h8-12,22-23,25-30H,13-21H2,1-7H3

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InChIKey

XBUHCLCBBZQYKL-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBUHCLCBBZQYKL-UHFFFAOYSA-N

(Q105324726)

(4,5,9,9,13,19,20-Heptamethyl-23-oxo-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) benzoate

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Identifiers

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