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Substance Name: Inokosterone
RN: 15130-85-5
InChIKey: JQNVCUBPURTQPQ-GYVHUXHASA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H44-O7

Molecular Weight

  • 480.6376
 
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Names and Synonyms

Name of Substance

  • Inokosterone

Synonyms

  • C08819
  • Inokosterone

Systematic Names

  • 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,26-hexahydroxy-, (22R,25RS)-
  • Cholest-7-en-6-one, 2,3,14,20,22,26-hexahydroxy-, (2-beta,3-beta,5-beta,22R)- (9CI)

Registry Numbers

CAS Registry Number

  • 15130-85-5

Other Registry Numbers

  • 11033-11-7
  • 15216-44-1
  • 25318-46-1
  • 39284-25-8

System Generated Number

  • 0015130855

Structure Descriptors

InChI

1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1

InChIKey

JQNVCUBPURTQPQ-GYVHUXHASA-N

Smiles

C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7800mg/kg (7800mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 66, Pg. 551, 1970.
mouse LD50 oral > 9gm/kg (9000mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 66, Pg. 551, 1970.