Ignavine

CAS Registry Number®

1357-76-2

CAS Name

Ignavine

Molecular Formula

C27H31NO5

Molecular Mass

449.54

Cite this Page

Ignavine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1357-76-2 (retrieved 2024-12-22) (CAS RN: 1357-76-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17-,18+,19+,20+,21+,22-,24-,25-,26+,27-/m0/s1

InChIKey

InChIKey=FOIZZXKAYVIZQC-GRPOQJKGSA-N

SMILES

O[C@]12[C@@]34[C@]5([C@@]6([C@@]1(C[C@]7([C@@]3([C@](C)(C[N@]57)[C@@H](O)[C@H](OC(=O)C8=CC=CC=C8)C4)[H])[H])[C@H](O)C(=C)[C@](C2)(C6)[H])[H])[H]

Canonical SMILES

O=C(OC1CC23C4N5CC(C)(C1O)C3C5CC67C(O)C(=C)C(CC46)CC72O)C=8C=CC=CC8

Other Names for this Substance

  • Hetisan-2,3,9,15-tetrol, 2-benzoate, (2α,3β,15β)-
  • Ignavine
  • 1H,4H,7H-6a,9-Ethano-5,7,10b-methenodibenz[cd,f]indole, hetisan-2,3,9,15-tetrol deriv.

Deleted or Replaced CAS Registry Numbers

58840-06-5

CAS INSIGHTSTM
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