(Q105291536)

English

(1S,5S,7R)-4-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-1-[(2R)-2-methylbutanoyl]-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-Hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-1-(2-methylbutanoyl)-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

500.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₅

0 references

canonical SMILES

O=C1C(=C(O)C2(C(=O)C1(C(=O)C(C)CC)C(C)(C)C(CC=C(C)C)C2)CC=C(C)C)CCC(O)(C)C

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isomeric SMILES

CC[C@@H](C)C(=O)[C@]12C(=O)C(CCC(C)(C)O)=C(O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O

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found in taxon

Garcinia subelliptica

1 reference

stated in

Novel and Anti‐Inflammatory Constituents of Garcinia subelliptica

Identifiers

InChI

InChI=1S/C31H48O5/c1-11-21(6)24(32)31-26(34)23(15-16-28(7,8)36)25(33)30(27(31)35,17-14-20(4)5)18-22(29(31,9)10)13-12-19(2)3/h12,14,21-22,33,36H,11,13,15-18H2,1-10H3/t21-,22-,30+,31-/m1/s1

0 references

InChIKey

VQVLNWYUSDHDBZ-CDFCBCNWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VQVLNWYUSDHDBZ-CDFCBCNWSA-N

(Q105291536)

(1S,5S,7R)-4-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-1-[(2R)-2-methylbutanoyl]-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione

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