(Q104916038)

English

2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-ene-1,3-diol

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

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

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isomeric SMILES

CC(C)=CCC(O)C(CO)[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/C30H50O3/c1-19(2)7-8-22(32)20(17-31)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h7,20-25,31-33H,8-18H2,1-6H3/t20?,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1

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InChIKey

AOXSCZVQUQYXOZ-ILXBXJSLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AOXSCZVQUQYXOZ-ILXBXJSLSA-N

(Q104916038)

2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-ene-1,3-diol

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Identifiers

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