(Q105134393)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

486.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

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

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isomeric SMILES

CC(C)=CCC1=C(O)[C@@]2(CCC(C)(C)O)C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)C(C)C)(C1=O)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/C30H46O5/c1-18(2)11-13-21-17-29(16-15-27(7,8)35)24(32)22(14-12-19(3)4)25(33)30(26(29)34,28(21,9)10)23(31)20(5)6/h11-12,20-21,32,35H,13-17H2,1-10H3/t21-,29-,30-/m1/s1

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InChIKey

JSJFXLAKQGYUJS-SCEOJTAYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JSJFXLAKQGYUJS-SCEOJTAYSA-N

(Q105134393)

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

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