(Q104994508)

English

(1R,3aS,3bS,5R,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-5-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

426.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(22E)-6alpha-Hydroxystigmasta-4,22-diene-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O₂

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canonical SMILES

O=C1C=C2C(O)CC3C(CCC4(C)C(CCC34)C(C=CC(CC)C(C)C)C)C2(C)CC1

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isomeric SMILES

CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Acorus calamus

1 reference

stated in

A New Steroid Glycoside Derivative fromAcorus CalamusL.

Ailanthus altissima

1 reference

stated in

Sterones and indole alkaloid from Ailanthus altissima callus cultures

Cymodocea nodosa

1 reference

stated in

3-Keto steroids from the marine organisms Dendrophyllia cornigera and Cymodocea nodosa

Ficus conraui

1 reference

stated in

Isoprenoids and Flavonoids with Antimicrobial Activity from Ficus conrauiWarburg (Moraceae)

Magnolia compressa

1 reference

stated in

Chemical constituents from the stems of Michelia compressa VAR. lanyuensis

Oryza sativa

1 reference

stated in

Bioactive steroids from Oryza sativa L.

Rhinacanthus nasutus

1 reference

stated in

A quinol and steroids from the leaves and stems of Rhinacanthus nasutus

Identifiers

InChI

InChI=1S/C29H46O2/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/h8-9,16,18-20,22-25,27,31H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1

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InChIKey

FFKIQLXJMQUBQZ-IRLJAPRMSA-N

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CAS Registry Number

36450-01-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FFKIQLXJMQUBQZ-IRLJAPRMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FFKIQLXJMQUBQZ-IRLJAPRMSA-N

(Q104994508)

(1R,3aS,3bS,5R,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-5-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

Statements

Identifiers

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