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Substance Name: Stigmasta-4,22-dien-3-one
RN: 20817-72-5
InChIKey: MKGZDUKUQPPHFM-LPJPOILFSA-N

Molecular Formula

  • C29-H46-O

Molecular Weight

  • 410.681
 
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Names and Synonyms

  • (8S,9S,10R,13R,14S,17R)-17-((E,2S,5S)-5-Ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
  • Stigmasta-4,22-dien-3-one

Registry Numbers

CAS Registry Number

  • 20817-72-5

System Generated Number

  • 0020817725

Structure Descriptors

InChI

1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1

InChIKey

MKGZDUKUQPPHFM-LPJPOILFSA-N

Smiles

C1(CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CCC2=C1)[C@@H](\C=C\[C@@H](CC)C(C)C)C)C)C)=O