Rockogenin

CAS Registry Number®

16653-52-4

CAS Name

Rockogenin

Molecular Formula

C27H44O4

Molecular Mass

432.64

Cite this Page

Rockogenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16653-52-4 (retrieved 2024-11-25) (CAS RN: 16653-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=BQNMOLSYHYSCMS-TUUYSWIFSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](C[C@H]2O)([C@]5(C)[C@@](CC4)(C[C@@H](O)CC5)[H])[H])[H])[H])(O[C@@]6([C@H]3C)CC[C@@H](C)CO6)[H])[H]

Canonical SMILES

OC1CCC2(C)C(CCC3C2CC(O)C4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1

Other Names for this Substance

  • Spirostan-3,12-diol, (3β,5α,12β,25R)-
  • 5α-Spirostan-3β,12β-diol, (25R)-
  • Rockogenin
  • (3β,5α,12β,25R)-Spirostan-3,12-diol
  • Rocogenin

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Deleted or Replaced CAS Registry Numbers

509-98-8

CAS INSIGHTSTM
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