(Q105352654)

English

(5S,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

17-(5-Ethyl-6-methylheptan-2-yl)-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

430.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₂

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canonical SMILES

O=C1CCC2(C)C(C1)C(O)CC3C4CCC(C(C)CCC(CC)C(C)C)C4(C)CCC32

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Gynura japonica

1 reference

stated in

Cerebrosides from the Rhizomes ofGynura Japonica

Identifiers

InChI

InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-27,31H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26-,27-,28-,29-/m1/s1

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InChIKey

YQYRNIRWFCMXLX-PQSXICMVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105352654)

(5S,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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