(Q105184554)

English

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-(hydroxymethyl)-5-methoxy-6-methylheptan-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 C₃₂H₅₆O₃

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Statements

instance of

group of stereoisomers

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subclass of

24-methylcycloartane steroid

1 reference

inferred from

24-methylcycloartane steroid

mass

488.422945652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₆O₃

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canonical SMILES

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

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isomeric SMILES

COC(CO)(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C

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found in taxon

Euphorbia fischeriana

1 reference

stated in

Cycloartane-type triterpenes from Euphorbia fischeriana stimulate human CYP3A4 promoter activity

Identifiers

InChI

InChI=1S/C32H56O3/c1-21(2)32(20-33,35-8)16-11-22(3)23-12-14-29(7)25-10-9-24-27(4,5)26(34)13-15-30(24)19-31(25,30)18-17-28(23,29)6/h21-26,33-34H,9-20H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+,32?/m1/s1

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InChIKey

NRHMKHNCVMMQCQ-YGBPDJJZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NRHMKHNCVMMQCQ-YGBPDJJZSA-N

1 reference

(Q105184554)

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-(hydroxymethyl)-5-methoxy-6-methylheptan-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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