(Q105274683)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

426.349780712 dalton

1 reference

1 reference

C₂₉H₄₆O₂

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canonical SMILES

O=C1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C=CC(CC)C(C)C)C

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isomeric SMILES

CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Piptostigma fugax

1 reference

stated in

Aporphinoid alkaloids and terpenoids from Piptostigma fugax

Phaseolus vulgaris

1 reference

stated in

Phytosterols and Triterpenes in the Roots of the “Kidney Bean” (Phaseolus vulgarisL.)

Identifiers

InChI

InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-25,27,30H,7,10-16H2,1-6H3/b9-8+/t19-,20+,22-,23+,24-,25-,27-,28-,29+/m0/s1

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InChIKey

UKMCCFHULJHJNS-GBQACDLJSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

UKMCCFHULJHJNS-GBQACDLJSA-N

1 reference

(Q105274683)

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

Statements

Identifiers

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