(Q105228589)

English

(1S,3R,6S,11S,12S,15R,16R)-15-[(E,2R)-6-hydroperoxy-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 C₃₀H₅₀O₃

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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

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

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

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isomeric SMILES

C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(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/C30H50O3/c1-20(9-8-14-25(2,3)33-32)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

QVDQRPBOZUHTCX-CCSFUCHMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVDQRPBOZUHTCX-CCSFUCHMSA-N

(Q105228589)

(1S,3R,6S,11S,12S,15R,16R)-15-[(E,2R)-6-hydroperoxy-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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