(Q104908822)

English

(3S,10R,13S)-17-(3-hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

group of stereoisomers with the chemical formula C₂₈H₄₆O₂

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Statements

instance of

group of stereoisomers

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1 reference

414.349780712 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₂

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)C(O)CC(=C)C(C)C)C2(C)CC1

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isomeric SMILES

C=C(CC(O)C(C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C

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found in taxon

Trichilia pallida

1 reference

stated in

Bioactivity of Trichilia pallida Swartz (Meliaceae) derived molecules on Tuta absoluta (Meyrick) (Lepidoptera: Gelechiidae)

Identifiers

InChI

InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17,19,21-26,29-30H,3,8-16H2,1-2,4-6H3/t19?,21-,22?,23?,24?,25?,26?,27-,28+/m0/s1

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InChIKey

ABTDMVGTVHLKEM-LVVCFWQASA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104908822)

(3S,10R,13S)-17-(3-hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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