(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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-12,22-diol

CAS Registry Number®

21008-67-3

CAS Name

(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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-12,22-diol

Molecular Formula

C36H38N2O6

Molecular Mass

594.70

Cite this Page

(4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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-12,22-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21008-67-3 (retrieved 2024-11-22) (CAS RN: 21008-67-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1

InChIKey

InChIKey=XGEAUXVPBXUBKN-NSOVKSMOSA-N

SMILES

OC1=C2C=3[C@](CC=4C=C(OC=5C=CC(C[C@]6(C7=CC(O2)=C(OC)C=C7CCN6C)[H])=CC5)C(O)=CC4)(N(C)CCC3C=C1OC)[H]

Canonical SMILES

OC1=CC=C2C=C1OC3=CC=C(C=C3)CC4C5=CC(OC=6C(O)=C(OC)C=C7C6C(N(C)CC7)C2)=C(OC)C=C5CCN4C

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-12,22-diol, 3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-4,17-dimethyl-, (4aS,16aS)-
  • Atherospermoline
  • Berbaman-7,12-diol, 6,6′-dimethoxy-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-7,12-diol deriv.
  • (4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-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-12,22-diol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration