Veratroylzygadenine

CAS Registry Number®

31329-58-5

CAS Name

Veratroylzygadenine

Molecular Formula

C36H51NO10

Molecular Mass

657.79

Cite this Page

Veratroylzygadenine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31329-58-5 (retrieved 2024-11-26) (CAS RN: 31329-58-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    278-280 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24-,25+,26-,27-,28+,29+,30-,32-,33+,34+,35-,36-/m0/s1

InChIKey

InChIKey=LQZYJVWXEFXUJG-OPPBMFSOSA-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](OC(=O)C8=CC(OC)=C(OC)C=C8)CC2)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O)C8=CC=C(OC)C(OC)=C8

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

67910-97-8

CAS INSIGHTSTM
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