(Q105130051)

English

[5-(3,3-Dimethyloxiran-2-yl)-3-(7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxolan-2-yl] acetate

group of stereoisomers with the chemical formula C₃₂H₄₈O₆

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Statements

instance of

group of stereoisomers

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subclass of

apotirucallane triterpenoid

1 reference

inferred from

apotirucallane triterpenoid

mass

528.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₆

0 references

canonical SMILES

O=C(OC1OC(CC1C2CC=C3C2(C)CCC4C3(C)C(O)CC5C(C(=O)CCC45C)(C)C)C6OC6(C)C)C

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Identifiers

InChI

InChI=1S/C32H48O6/c1-17(33)36-27-18(15-20(37-27)26-29(4,5)38-26)19-9-10-21-30(19,6)13-11-22-31(7)14-12-24(34)28(2,3)23(31)16-25(35)32(21,22)8/h10,18-20,22-23,25-27,35H,9,11-16H2,1-8H3

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InChIKey

JJYFVZGESRUJQK-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JJYFVZGESRUJQK-UHFFFAOYSA-N

(Q105130051)

[5-(3,3-Dimethyloxiran-2-yl)-3-(7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxolan-2-yl] acetate

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