(5α,22β,25S)-Spirosolan-3-one

CAS Registry Number®

6870-84-4

CAS Name

(5α,22β,25S)-Spirosolan-3-one

Molecular Formula

C27H43NO2

Molecular Mass

413.64

Cite this Page

(5α,22β,25S)-Spirosolan-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6870-84-4 (retrieved 2024-11-08) (CAS RN: 6870-84-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey

InChIKey=VCYNHQOAZQMPOJ-TZNORDHQSA-N

SMILES

C[C@@H]1[C@@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@@](CC5)(CC(=O)CC6)[H])[H])[H])[H])[H])[H])CC[C@H](C)CN2

Canonical SMILES

O=C1CCC2(C)C(C1)CCC3C2CCC4(C)C3CC5OC6(NCC(C)CC6)C(C)C54

Other Names for this Substance

  • Spirosolan-3-one, (5α,22β,25S)-
  • 5α-Tomatidan-3-one
  • Tomatidone
  • (5α,22β,25S)-Spirosolan-3-one
  • Tomatidin-3-one

Deleted or Replaced CAS Registry Numbers

104538-58-1

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles