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Substance Name: 1,3,5-Trihydroxy-24-methylenecholestan-6-one
RN: 138777-11-4
InChIKey: RQXFIFSIGRFXOD-UDSYFKESSA-N

Note

  • From the Chinese soft coral, Sinularia microclavata.

Molecular Weight

  • 446.667
 
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Names and Synonyms

Name of Substance

  • 1,3,5-Trihydroxy-24-methylenecholestan-6-one

Synonyms

  • 1,3,5-TMCO
  • 1alpha,3beta,5alpha-Trihydroxy-24-methylenecholestan-6-one

Registry Numbers

CAS Registry Number

  • 138777-11-4

System Generated Number

  • 0138777114

Structure Descriptors

InChI

1S/C28H46O4/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/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19?,20+,21-,22+,23+,24?,26-,27+,28?/m1/s1

InChIKey

RQXFIFSIGRFXOD-UDSYFKESSA-N

Smiles

C1[C@@H](C[C@@]2(C(C[C@H]3[C@@H]4CC[C@@H]([C@@H](CCC(C(C)C)=C)C)[C@@]4(C)CC[C@H]3[C@@]2([C@@H]1O)C)=O)O)O