Isorubijervine

CAS Registry Number®

468-45-1

CAS Name

Isorubijervine

Molecular Formula

C27H43NO2

Molecular Mass

413.64

Cite this Page

Isorubijervine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=468-45-1 (retrieved 2025-01-03) (CAS RN: 468-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-257 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H43NO2/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27+/m0/s1

InChIKey

InChIKey=NMFWDNZLNHRNAT-SBEAXSITSA-N

SMILES

C(O)[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O)CC5)[H])[H])[H])(N6[C@@]([C@H]3C)(CC[C@H](C)C6)[H])[H])[H]

Canonical SMILES

OCC12CCC3C(CC=C4CC(O)CCC43C)C2CC5N6CC(C)CCC6C(C)C51

Other Names for this Substance

  • Solanid-5-ene-3,18-diol, (3β)-
  • Solanid-5-ene-3β,18-diol
  • Isorubijervine
  • (3β)-Solanid-5-ene-3,18-diol
  • NSC 226131

CAS INSIGHTSTM
A collage showcasing diverse technology, including gadgets, devices, and innovative tools in a vibrant arrangement.