(Q104981160)

English

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(3Z)-1-hydroperoxy-6-methylhepta-3,5-dien-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 C₃₀H₄₈O₃

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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

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Euphorbia bupleuroides

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stated in

Terpenoids and other constituents from Euphorbia bupleuroides

Identifiers

InChI

InChI=1S/C30H48O3/c1-20(2)8-7-9-21(18-33-32)22-12-14-28(6)24-11-10-23-26(3,4)25(31)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h7-9,21-25,31-32H,10-19H2,1-6H3/b9-7-/t21?,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1

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InChIKey

DICZHBSJZBDKMM-HWYKCMSKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DICZHBSJZBDKMM-HWYKCMSKSA-N

(Q104981160)

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(3Z)-1-hydroperoxy-6-methylhepta-3,5-dien-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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