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Substance Name: Rhapontisterone
RN: 137476-71-2
InChIKey: PJHYXCVCRWJEMV-OWTCXKDTSA-N

Note

  • From Rhaponticum uniflorum root.

Molecular Formula

  • C27-H44-O8

Molecular Weight

  • 496.637
 
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Names and Synonyms

Name of Substance

  • Rhapontisterone

Synonym

  • 2,3,11,14,20,22,25-Heptahydroxycholest-7-en-6-one

Systematic Name

  • Cholest-7-en-6-one, 2,3,11,14,20,22,24-heptahydroxy-, (2beta,3beta,5beta,11alpha,22R,24S)-

Registry Numbers

CAS Registry Number

  • 137476-71-2

System Generated Number

  • 0137476712

Structure Descriptors

InChI

1S/C27H44O8/c1-13(2)16(28)10-22(33)26(5,34)21-6-7-27(35)15-9-17(29)14-8-18(30)19(31)11-24(14,3)23(15)20(32)12-25(21,27)4/h9,13-14,16,18-23,28,30-35H,6-8,10-12H2,1-5H3/t14-,16-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27?/m0/s1

InChIKey

PJHYXCVCRWJEMV-OWTCXKDTSA-N

Smiles

C1[C@@H]([C@@H](C[C@H]2C(C=C3[C@@]4(CC[C@@H]([C@@]([C@@H](C[C@@H](C(C)C)O)O)(C)O)[C@@]4(C)C[C@H]([C@H]3[C@@]12C)O)O)=O)O)O