(Q105134502)

English

(1S,3R,6S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-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 C₃₀H₅₀O₂

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Statements

instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CC=CC(O)(C)C

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isomeric SMILES

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

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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/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8+/t20-,21-,22?,23?,24+,27-,28+,29-,30+/m1/s1

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InChIKey

JSPGKOBNHWTKNT-CEERICPQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JSPGKOBNHWTKNT-CEERICPQSA-N

1 reference

(Q105134502)

(1S,3R,6S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-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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