(Q105311383)

English

[8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate

group of stereoisomers with the chemical formula C₄₆H₈₀O₃

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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

680.61074642 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₈₀O₃

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canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5C(C)C(C)CCC5(CO)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCC

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Identifiers

InChI

InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)49-39-27-28-43(6)37(42(39,4)5)26-29-45(8)38(43)24-23-36-41-35(3)34(2)25-30-46(41,33-47)32-31-44(36,45)7/h23,34-35,37-39,41,47H,9-22,24-33H2,1-8H3

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InChIKey

WRLVTAGLGBPGQA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WRLVTAGLGBPGQA-UHFFFAOYSA-N

(Q105311383)

[8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate

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