(Q104937841)

English

[7-Acetyloxy-3-(7-acetyloxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl acetate

group of stereoisomers with the chemical formula C₃₆H₅₂O₇

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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

596.3713040039999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₂O₇

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canonical SMILES

O=C(OCC1(C)C(OC(=O)C)CCC2(C)C3CC(=O)C(=C(C=CC=C(C)C(OC(=O)C)CC=C(C)C)C)C3(C)CCC12)C

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Identifiers

InChI

InChI=1S/C36H52O7/c1-22(2)14-15-29(42-26(6)38)23(3)12-11-13-24(4)33-28(40)20-31-34(8)19-17-32(43-27(7)39)36(10,21-41-25(5)37)30(34)16-18-35(31,33)9/h11-14,29-32H,15-21H2,1-10H3

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InChIKey

BKYTUKQTWNSKPW-UHFFFAOYSA-N

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PubChem CID

85270145

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BKYTUKQTWNSKPW-UHFFFAOYSA-N

(Q104937841)

[7-Acetyloxy-3-(7-acetyloxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl acetate

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