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Substance Name: Rockogenin
RN: 16653-52-4
InChIKey: BQNMOLSYHYSCMS-TUUYSWIFSA-N

Note

  • Sapogenin, known as coffee grounds, produced during production of hecogenin.

Molecular Formula

  • C27-H44-O4

Molecular Weight

  • 432.641
 
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Names and Synonyms

Name of Substance

  • Rockogenin

Synonym

  • 5alpha,25alpha-Spirostan-3beta,12-diol

Systematic Name

  • Spirostan-3,12-diol, (3beta,5alpha,12beta,25R)-

Registry Numbers

CAS Registry Number

  • 16653-52-4

System Generated Number

  • 0016653524

Structure Descriptors

InChI

1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1

InChIKey

BQNMOLSYHYSCMS-TUUYSWIFSA-N

Smiles

C1[C@@H](C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6([C@H]([C@H]5[C@@]4(C)[C@@H](C[C@H]3[C@@]2(C1)C)O)C)OC[C@@H](CC6)C)O