(Q105250076)

English

(3S,4S,10S,13R)-4,10,13-trimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

group of stereoisomers with the chemical formula C₂₈H₄₈O

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Statements

instance of

group of stereoisomers

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subclass of

4-methylcholestane steroid

1 reference

inferred from

4-methylcholestane steroid

mass

400.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₈O

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canonical SMILES

OC1CCC2(C3=C(CCC2C1C)C4CCC(C(C)CCCC(C)C)C4(C)CC3)C

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isomeric SMILES

CC(C)CCC[C@H](C)C1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)C1CC3

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found in taxon

Euphorbia officinarum

1 reference

stated in

Bioactive triterpene derivatives from latex of two Euphorbia species.

Identifiers

InChI

InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20-,22?,23?,24?,26-,27+,28-/m0/s1

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InChIKey

SCEZIHJVTBQOLS-PNZUPQHGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SCEZIHJVTBQOLS-PNZUPQHGSA-N

(Q105250076)

(3S,4S,10S,13R)-4,10,13-trimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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