Hetisine

CAS Registry Number®

10089-23-3
No image available.

CAS Name

Hetisine

Molecular Formula

C20H27NO3

Molecular Mass

329.43

Cite this Page

Hetisine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10089-23-3 (retrieved 2024-09-19) (CAS RN: 10089-23-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    253-256 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10-,11-,12+,13-,14+,15+,16+,17+,18-,19-,20-/m0/s1

InChIKey

InChIKey=PIWJSAMCEMZIDO-APRJJLODSA-N

SMILES

O[C@H]1[C@]2([C@@]34[C@]5([C@@]6([C@@]2(C[C@]7([C@@]3([C@](C)(CN57)C[C@H](O)C4)[H])[H])CC(=C)[C@]1([C@@H]6O)[H])[H])[H])[H]

Canonical SMILES

OC1CC2(C)CN3C4CC56CC(=C)C7C(O)C6C3C(C1)(C5C7O)C42

Other Names for this Substance

  • Hetisan-2,11,13-triol, (2α,11α,13R)-
  • Hetisine
  • 1H,4H,7H-6a,9-Ethano-5,7,10b-methenodibenz[cd,f]indole, hetisan-2,11,13-triol deriv.
  • (2α,11α,13R)-Hetisan-2,11,13-triol
  • Delatine

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Deleted or Replaced CAS Registry Numbers

30636-47-6