(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline

CAS Registry Number®

6681-13-6

CAS Name

(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline

Molecular Formula

C39H44N2O7

Molecular Mass

652.78

Cite this Page

(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6681-13-6 (retrieved 2024-11-24) (CAS RN: 6681-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192-193 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

InChIKey

InChIKey=FUZMQNZACIFDBL-KYJUHHDHSA-N

SMILES

O(C)C1=C2C3=C(C(OC)=C1OC)CCN(C)[C@]3(CC=4C=C(C(OC)=CC4)OC=5C=CC(C[C@]6(C7=CC(O2)=C(OC)C=C7CCN6C)[H])=CC5)[H]

Canonical SMILES

O1C2=CC=C(C=C2)CC3C4=CC(OC=5C(OC)=C(OC)C(OC)=C6C5C(N(C)CC6)CC7=CC=C(OC)C1=C7)=C(OC)C=C4CCN3C

Other Names for this Substance

  • 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-, (4aS,16aS)-
  • Hernandezine
  • Berbaman, 5,6,6′,7,12-pentamethoxy-2,2′-dimethyl-, (1β)-
  • 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, berbaman deriv.
  • (4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline

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Deleted or Replaced CAS Registry Numbers

313697-63-1, 361365-30-2, 381672-61-3, 403717-58-8, 498530-49-7