(Q105030582)

English

(5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Stigmastane-3,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

1 reference

based on heuristic

inferred from InChI

Stigmastane-3,6-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₂

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Cynoglossum gansuense

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stated in

Chemical Constituents fromCynoglossum gansuense

Larix kaempferi

1 reference

stated in

Tetracyclic triterpenes and other constituents from the leaves and bark of Larix kaempferi

Identifiers

InChI

InChI=1S/C29H48O2/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/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,28-,29-/m1/s1

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InChIKey

HMMVBUVVQLUGQA-WMQINEEOSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105030582)

(5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

Statements

Identifiers

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