Spirosolan-3-ol, hydrochloride (1:1), (3β,5α,22β,25S)-

CAS Registry Number®

6192-62-7

CAS Name

Spirosolan-3-ol, hydrochloride (1:1), (3β,5α,22β,25S)-

Molecular Formula

C27H45NO2.ClH

Cite this Page

Spirosolan-3-ol, hydrochloride (1:1), (3β,5α,22β,25S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6192-62-7 (retrieved 2024-11-22) (CAS RN: 6192-62-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    275-280 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H45NO2.ClH/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;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-;/m0./s1

InChIKey

InChIKey=SXXHVPYRDFJKPG-VXJLCZPPSA-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)(C[C@@H](O)CC6)[H])[H])[H])[H])[H])[H])CC[C@H](C)CN2.Cl

Canonical SMILES

Cl.OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5OC6(NCC(C)CC6)C(C)C54)C1

Other Names for this Substance

  • Spirosolan-3-ol, hydrochloride (1:1), (3β,5α,22β,25S)-
  • 5α-Tomatidin-3β-ol, hydrochloride
  • Spirosolan-3-ol, hydrochloride, (3β,5α,22β,25S)-
  • Tomatidin hydrochloride
  • Tomatidine hydrochloride

Deleted or Replaced CAS Registry Numbers

894413-04-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration