(-)-Ambelline

CAS Registry Number®

3660-62-6

CAS Name

(-)-Ambelline

Molecular Formula

C18H21NO5

Molecular Mass

331.36

Cite this Page

(-)-Ambelline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3660-62-6 (retrieved 2024-12-23) (CAS RN: 3660-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    253-255 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H21NO5/c1-21-10-3-4-18-12-6-13-17(24-9-23-13)16(22-2)11(12)7-19(8-15(18)20)14(18)5-10/h3-4,6,10,14-15,20H,5,7-9H2,1-2H3/t10-,14+,15+,18+/m0/s1

InChIKey

InChIKey=QAHZAHIPKNLGAS-QMJNRFBBSA-N

SMILES

O[C@H]1[C@]23C=4C(=C(OC)C5=C(C4)OCO5)C[N@@]([C@@]2(C[C@@H](OC)C=C3)[H])C1

Canonical SMILES

OC1CN2CC3=C(OC)C=4OCOC4C=C3C51C=CC(OC)CC25

Other Names for this Substance

  • 3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol, 4,4a-dihydro-3,7-dimethoxy-, (3R,4aR,5R,11bR,12S)-
  • Ambelline
  • Crinan-12-ol, 1,2-didehydro-3α,7-dimethoxy-
  • Crinan-11-ol, 1,2-didehydro-3,7-dimethoxy-, (3α,11S)-
  • (3R,4aR,5R,11bR,12S)-4,4a-Dihydro-3,7-dimethoxy-3H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol

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