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Substance Name: Numersterol B
RN: 124596-65-2
InChIKey: LATZJDGEDRBGDY-RQHYHMENSA-N

Molecular Formula

  • C29-H50-O3

Molecular Weight

  • 446.711
 
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Names and Synonyms

Results Name

  • Numersterol B

Synonym

  • Numersterol B

Systematic Name

  • 27-Norcholest-25-ene-1,3,5-triol, 25-(1-methylethyl)-, (1beta,3beta,5alpha)-

Registry Numbers

CAS Registry Number

  • 124596-65-2

System Generated Number

  • 0124596652

Structure Descriptors

InChI

1S/C29H50O3/c1-18(2)19(3)8-7-9-20(4)23-10-11-24-22-12-15-29(32)17-21(30)16-26(31)28(29,6)25(22)13-14-27(23,24)5/h18,20-26,30-32H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+,29-/m1/s1

InChIKey

LATZJDGEDRBGDY-RQHYHMENSA-N

Smiles

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