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Substance Name: Spinasterol
RN: 481-18-5
UNII: 0LG993QX1A
InChIKey: JZVFJDZBLUFKCA-FXIAWGAOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H48-O

Molecular Weight

  • 412.697
 
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Names and Synonyms

Name of Substance

  • Spinasterol

Synonyms

  • (3-beta,5-alpha,22E)-Stigmasta-7,22-dien-3-ol
  • alpha-Spinasterin
  • Bessisterol
  • Hitodesterol
  • Spinasterol
  • UNII-0LG993QX1A

Systematic Names

  • 5-alpha-Stigmasta-7,22-dien-3-beta-ol, (E)-
  • Stigmasta-7,22-dien-3-ol, (3-beta,5-alpha,22E)-

Registry Numbers

CAS Registry Number

  • 481-18-5

FDA UNII

  • 0LG993QX1A

System Generated Number

  • 0000481185

Structure Descriptors

InChI

1S/C29H48O/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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1

InChIKey

JZVFJDZBLUFKCA-FXIAWGAOSA-N

Smiles

C1[C@H](O)C[C@H]2[C@@](C)(C1)[C@@H]1C(=CC2)[C@@H]2CC[C@@H]([C@@]2(C)CC1)[C@@H](\C=C\[C@H](C(C)C)CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 479mg/kg (479mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 20, Pg. 257, 1985.