(Q105180073)

English

(3S,4R,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]phenanthrene-3,4-diol

group of stereoisomers with the chemical formula C₂₈H₄₆O₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

430.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₃

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canonical SMILES

OC1C2=CCC3C(CCC4(C)C(CCC34)C(C)C(O)CC(=C)C(C)C)C2(C)CCC1O

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isomeric SMILES

C=C(CC(O)C(C)C1CCC2C3CC=C4[C@@H](O)[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/C28H46O3/c1-16(2)17(3)15-25(30)18(4)20-9-10-21-19-7-8-23-26(31)24(29)12-14-28(23,6)22(19)11-13-27(20,21)5/h8,16,18-22,24-26,29-31H,3,7,9-15H2,1-2,4-6H3/t18?,19?,20?,21?,22?,24-,25?,26+,27+,28+/m0/s1

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InChIKey

NJBMGUDGYKNMIJ-ACRWALKSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NJBMGUDGYKNMIJ-ACRWALKSSA-N

(Q105180073)

(3S,4R,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]phenanthrene-3,4-diol

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Identifiers

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