Demissidine
CAS Registry Number®
474-08-8
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CAS Name
DemissidineMolecular Formula
C27H45NOMolecular Mass
399.65Cite this Page
Demissidine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=474-08-8 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
58784-33-1
