3α-Dihydrocadambine

CAS Registry Number®

54483-84-0
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CAS Name

3α-Dihydrocadambine

Molecular Formula

C27H34N2O10

Molecular Mass

546.57

Cite this Page

3α-Dihydrocadambine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54483-84-0 (retrieved 2024-08-12) (CAS RN: 54483-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H34N2O10/c1-36-25(35)15-11-37-26(39-27-24(34)23(33)22(32)19(10-30)38-27)20-14(15)8-17-21-13(6-7-29(17)9-18(20)31)12-4-2-3-5-16(12)28-21/h2-5,11,14,17-20,22-24,26-28,30-34H,6-10H2,1H3/t14-,17+,18-,19-,20+,22-,23+,24-,26+,27+/m1/s1

InChIKey

InChIKey=HNZGKRAKJFZQAY-SBAWYOAKSA-N

SMILES

O[C@@H]1CN2[C@](C3=C(C=4C(N3)=CC=CC4)CC2)(C[C@]5([C@@]1([C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(OC)=O)[H])[H])[H]

Canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(O)CN4CCC=5C=6C=CC=CC6NC5C4CC13

Other Names for this Substance

  • Pyrano[4′′,3′′:4′,5′]azepino[1′,2′:1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(β-D-glucopyranosyloxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydro-5-hydroxy-, methyl ester, (4S,4aS,5S,14bS,15aS)-
  • D-Homooxayohimban-16-carboxylic acid, 16,17-didehydro-19-(β-D-glucopyranosyloxy)-21-hydroxy-, methyl ester, (19α,20α,21β)-
  • 3α-Dihydrocadambine
  • Cadambine, 3α-dihydro-
  • 3α,19(S)-Dihydrocadambine

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