(3β,4α,15α,16β)-4,9-Epoxycevane-3,4,14,15,16,20-hexol

CAS Registry Number®

545-45-9
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CAS Name

(3β,4α,15α,16β)-4,9-Epoxycevane-3,4,14,15,16,20-hexol

Molecular Formula

C27H43NO7

Molecular Mass

493.63

Cite this Page

(3β,4α,15α,16β)-4,9-Epoxycevane-3,4,14,15,16,20-hexol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=545-45-9 (retrieved 2024-05-18) (CAS RN: 545-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1

InChIKey

InChIKey=NPNDUIMQBJIGQS-IDFKWMMPSA-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])(CC[C@@]1([C@](O)(O4)[C@@H](O)CC2)[H])[H]

Canonical SMILES

OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

886202-53-5

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