Rockogenin
CAS Registry Number®
16653-52-4
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CAS Name
RockogeninMolecular Formula
C27H44O4Molecular Mass
432.64Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
509-98-8
