Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, (3β,4α,6α,7α,15α,16β)-

CAS Registry Number®

76-45-9

CAS Name

Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, (3β,4α,6α,7α,15α,16β)-

Molecular Formula

C27H43NO9

Molecular Mass

525.63

Cite this Page

Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, (3β,4α,6α,7α,15α,16β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76-45-9 (retrieved 2024-10-17) (CAS RN: 76-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C27H43NO9/c1-11-4-5-14-24(3,34)16-12(10-28(14)9-11)13-8-25-21(26(13,35)22(33)17(16)30)19(32)18(31)20-23(25,2)7-6-15(29)27(20,36)37-25/h11-22,29-36H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1

InChIKey

InChIKey=CKJAABZFXLMMCS-MKKPLVDTSA-N

SMILES

C[C@@]12[C@]34[C@]([C@@]5(O)[C@@](C3)([C@]6([C@]([C@@H](O)[C@@H]5O)([C@](C)(O)[C@]7(N(C6)C[C@@H](C)CC7)[H])[H])[H])[H])([C@H](O)[C@H](O)[C@@]1([C@](O)(O4)[C@@H](O)CC2)[H])[H]

Canonical SMILES

OC1C(O)C2C3(O)C(O)C(O)C4C(CN5CC(C)CCC5C4(O)C)C3CC62OC7(O)C(O)CCC6(C)C17

Other Names for this Substance

  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, (3β,4α,6α,7α,15α,16β)-
  • Cevane-3β,4β,6α,7α,14,15α,16β,20-octol, 4,9-epoxy-
  • Protoverine
  • 2H-4,16a-Epoxybenzo[7,8]fluoreno[2,1-b]quinolizine, cevane-3,4,6,7,14,15,16,20-octol deriv.
  • 6α-Hydroxygermine

Deleted or Replaced CAS Registry Numbers

1071658-83-7

CAS INSIGHTSTM
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