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Substance Name: Chlormadinol acetate-3-O-alpha-arabinofuranoside
RN: 129990-43-8
InChIKey: DBJOUOZKGVPNLE-HQNOGBBKSA-N

Molecular Formula

  • C28-H40-O8

Molecular Weight

  • 504.616
 
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Names and Synonyms

Name of Substance

  • Chlormadinol acetate-3-O-alpha-arabinofuranoside

Synonyms

  • (3beta)-17-(Acetyloxy)-3-(alpha-L-arabinofuranosyloxy)pregna-4,6-dien-20-one
  • 17-(Acetyloxy)-3-(alpha-L-arabinofuranosyloxy)pregna-4,6-dien-20-one (3beta)-
  • 17-Acetoxy-6-chloropregna-4,6-diene-20-one-3-O-alpha-arabinofuranoside
  • CAAF

Systematic Name

  • Pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(alpha-L-arabinofuranosyloxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 129990-43-8

System Generated Number

  • 0129990438

Structure Descriptors

InChI

1S/C28H40O8/c1-15(30)28(36-16(2)31)12-9-21-19-6-5-17-13-18(34-25-24(33)23(32)22(14-29)35-25)7-10-26(17,3)20(19)8-11-27(21,28)4/h5-6,13,18-25,29,32-33H,7-12,14H2,1-4H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27-,28-/m0/s1

InChIKey

DBJOUOZKGVPNLE-HQNOGBBKSA-N

Smiles

C1[C@@H](C=C2C=C[C@H]3[C@@H]4CC[C@@](C(C)=O)([C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC(=O)C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O1)CO