CAS Registry Number®
860-79-7
CAS Name
Cyclovirobuxine
Molecular Formula
C26H46N2O
Molecular Mass
402.66
Compound Properties
-
Melting Point (1)
220-221 °C (decomp)
Source(s)
- (1) Liu, Hai-Feng; Archiv der Pharmazie (Weinheim, Germany), (2006), 339(12), 675-676, CAplus
Other Names and Identifiers
InChI
InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1
InChIKey
InChIKey=GMNAPBAUIVITMI-ABNIRSKTSA-N
SMILES
C[C@]12[C@]3([C@]4([C@]5(C4)[C@](C(C)(C)[C@@H](NC)CC5)(CC3)[H])CC[C@]1(C)[C@@]([C@@H](NC)C)([C@H](O)C2)[H])[H]
Canonical SMILES
OC1CC2(C)C3CCC4C(C)(C)C(NC)CCC54CC35CCC2(C)C1C(NC)C
Other Names for this Substance
- 9,19-Cyclopregnan-16-ol, 4,4,14-trimethyl-3,20-bis(methylamino)-, (3β,5α,16α,20S)-
- 9,19-Cyclo-5α,9β-pregnan-16α-ol, 4,4,14-trimethyl-3β,20α-bis(methylamino)-
- 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclopregnan-16-ol deriv.
- (3β,5α,16α,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol
- Cyclovirobuxine
- Cyclovirobuxine D
- Bebuxine
- Cyclovirobuxin D
- NSC 91722
- Cyclovirobuxinum D
- (3α,5α,16α,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol
- CVB-D
Deleted or Replaced CAS Registry Numbers
1354-65-0
