(Q104938422)

English

1H,10H-Cyclopenta[a]cyclopropa[e]phenanthrene-6-carboxylic acid, 1-[(1R)-1,5-dimethyl-3-oxo-4-hexenyl]tetradecahydro-7-hydroxy-3a,6,12a-trimethyl-, (1R,3aS,3bS,5aR,6S,7S,9aR,10aS,12aR)-

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-Hydroxy-7,12,16-trimethyl-15-(6-methyl-4-oxohept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C(C=C(C)C)CC(C)C1CCC2(C)C3CCC4C(C(=O)O)(C)C(O)CCC54CC35CCC12C

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isomeric SMILES

CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C

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found in taxon

Gardenia thailandica

1 reference

stated in

Cytotoxic and anti-HIV-1 constituents from leaves and twigs of Gardenia tubifera

Identifiers

InChI

InChI=1S/C30H46O4/c1-18(2)15-20(31)16-19(3)21-9-11-27(5)22-7-8-23-28(6,25(33)34)24(32)10-12-29(23)17-30(22,29)14-13-26(21,27)4/h15,19,21-24,32H,7-14,16-17H2,1-6H3,(H,33,34)/t19-,21-,22+,23+,24+,26-,27+,28+,29-,30+/m1/s1

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InChIKey

BMJZOVISEITTRA-AHGLEFSXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104938422)

1H,10H-Cyclopenta[a]cyclopropa[e]phenanthrene-6-carboxylic acid, 1-[(1R)-1,5-dimethyl-3-oxo-4-hexenyl]tetradecahydro-7-hydroxy-3a,6,12a-trimethyl-, (1R,3aS,3bS,5aR,6S,7S,9aR,10aS,12aR)-

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Identifiers

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