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Substance Name: Scymnol
RN: 6785-34-8
InChIKey: DIPHJTHZUWDJIK-JPLAUYQNSA-N

Molecular Weight

  • 468.67
 
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Names and Synonyms

Name of Substance

  • Scymnol

Synonym

  • 5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol

Systematic Name

  • Cholestane-3,7,12,24,26,27-hexol, (3alpha,5beta,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 6785-34-8

System Generated Number

  • 0006785348

Structure Descriptors

InChI

1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1

InChIKey

DIPHJTHZUWDJIK-JPLAUYQNSA-N

Smiles

C1[C@H](C[C@H]2C[C@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](CC[C@H](C(CO)CO)O)C)[C@@]4(C)[C@H](C[C@H]3[C@@]2(C1)C)O)O)O