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Substance Name: 24-Methylenecholestane-1,3,5,6-tetrol
RN: 124596-64-1
InChIKey: CXPIFTPKWGXGCI-YMLDZVRYSA-N

Note

  • From the Chinese soft coral, Sinularia microclavata.

Molecular Formula

  • C28-H48-O4

Molecular Weight

  • 448.6832
 
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Names and Synonyms

Name of Substance

  • 24-Methylenecholestane-1,3,5,6-tetrol

Synonyms

  • 24-MCTT
  • 24-Methylenecholestane-1alpha,3beta,5alpha,6beta-tetrol
  • Ergost-24(28)-ene-1alpha,3beta,5alpha,6beta-tetrol

Systematic Name

  • Ergost-24(28)-ene-1,3,5,6-tetrol, (1alpha,3beta,5alpha,6beta)-

Registry Numbers

CAS Registry Number

  • 124596-64-1

System Generated Number

  • 0124596641

Structure Descriptors

InChI

1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1

InChIKey

CXPIFTPKWGXGCI-YMLDZVRYSA-N

Smiles

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