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Substance Name: 3-O-Rhamnosylchlormadinol acetate
RN: 98753-25-4
InChIKey: IUZNXPZMINDWNG-AAUVTORYSA-N

Molecular Formula

  • C29-H41-Cl-O8

Molecular Weight

  • 553.088
 
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Names and Synonyms

Name of Substance

  • 3-O-Rhamnosylchlormadinol acetate

Synonym

  • 3-Rcma

Systematic Name

  • Pregna-4,6-dien-20-one, 17-(acetyloxy)-6-chloro-3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 98753-25-4

System Generated Number

  • 0098753254

Structure Descriptors

InChI

1S/C29H41ClO8/c1-14-23(33)24(34)25(35)26(36-14)37-17-6-9-27(4)19-7-10-28(5)20(18(19)13-22(30)21(27)12-17)8-11-29(28,15(2)31)38-16(3)32/h12-14,17-20,23-26,33-35H,6-11H2,1-5H3/t14-,17?,18+,19-,20-,23-,24+,25+,26-,27+,28-,29-/m0/s1

InChIKey

IUZNXPZMINDWNG-AAUVTORYSA-N

Smiles

O1[C@H]([C@H](O)[C@@H]([C@H](O)[C@@H]1C)O)O[C@@H]1C=C2[C@](C)(CC1)[C@@H]1[C@@H](C=C2Cl)[C@H]2[C@@](CC1)([C@@](CC2)(C(C)=O)OC(C)=O)C