Demissidine

CAS Registry Number®

474-08-8

CAS Name

Demissidine

Molecular Formula

C27H45NO

Molecular Mass

399.65

Cite this Page

Demissidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=474-08-8 (retrieved 2024-11-23) (CAS RN: 474-08-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    216.0-217.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1

InChIKey

InChIKey=JALVTHFTYRPDMB-HRRTYWNUSA-N

SMILES

C[C@@]12[C@@]3([C@@](N4[C@@]([C@H]3C)(CC[C@H](C)C4)[H])(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@@](CC5)(C[C@@H](O)CC6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5N6CC(C)CCC6C(C)C54)C1

Other Names for this Substance

  • Solanidan-3-ol, (3β,5α)-
  • 5α-Solanidan-3β-ol
  • Demissidine
  • 1H-Naphth[2′,1′:4,5]indeno[1,2-b]indolizine, solanidan-3-ol deriv.
  • (3β,5α)-Solanidan-3-ol

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Deleted or Replaced CAS Registry Numbers

58784-33-1

CAS INSIGHTSTM
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