(Q105194975)

English

(1S,3R,6S,12S,15R,16R)-15-[(2R)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

group of stereoisomers with the chemical formula C₃₁H₅₂O₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

24-methylcycloartane steroid

1 reference

inferred from

24-methylcycloartane steroid

mass

456.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₂

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canonical SMILES

OCC(C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)CO

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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/C31H52O2/c1-20(22(3)18-32)8-9-21(2)23-12-14-29(7)25-11-10-24-27(4,5)26(33)13-15-30(24)19-31(25,30)17-16-28(23,29)6/h21-26,32-33H,1,8-19H2,2-7H3/t21-,22?,23-,24?,25?,26+,28-,29+,30-,31+/m1/s1

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InChIKey

ONNNLYSDSXGHFE-OGANXIJSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ONNNLYSDSXGHFE-OGANXIJSSA-N

(Q105194975)

(1S,3R,6S,12S,15R,16R)-15-[(2R)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

Statements

Identifiers

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