(4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-Bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3′,2′-i]dipyrido[4,3-b:3′,4′-h]carbazole-1,8a,10a,18-tetrol

CAS Registry Number®

105618-27-7

CAS Name

(4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-Bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3′,2′-i]dipyrido[4,3-b:3′,4′-h]carbazole-1,8a,10a,18-tetrol

Molecular Formula

C41H45N3O6

Molecular Mass

675.81

Cite this Page

(4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-Bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3′,2′-i]dipyrido[4,3-b:3′,4′-h]carbazole-1,8a,10a,18-tetrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105618-27-7 (retrieved 2024-11-29) (CAS RN: 105618-27-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >280 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C41H45N3O6/c1-42-32-24(16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,36(32)49-34)10-12-43(28)18-20-2-3-20)25-17-41(48)29-15-23-7-9-27(46)35-31(23)39(41,37(50-35)33(25)42)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,45-48H,2-5,10-19H2,1H3/t28-,29-,36+,37+,38+,39+,40-,41-/m1/s1

InChIKey

InChIKey=DKIVQMBUHVYDFC-IWRYZOJTSA-N

SMILES

O[C@]12[C@]34[C@](C5=C(C1)C6=C(N5C)[C@]7([C@]89[C@@](O)(C6)[C@](N(CC%10CC%10)CC8)(CC%11=C9C(O7)=C(O)C=C%11)[H])[H])(OC=%12C3=C(C[C@]2(N(CC%13CC%13)CC4)[H])C=CC%12O)[H]

Canonical SMILES

OC1=CC=C2C3=C1OC4C5=C(C6=C(N5C)C7OC=8C(O)=CC=C9C8C%107CCN(CC%11CC%11)C(C9)C%10(O)C6)CC%12(O)C(N(CCC34%12)CC%13CC%13)C2

Other Names for this Substance

  • 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3′,2′-i]dipyrido[4,3-b:3′,4′-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-
  • 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3′,2′-i]dipyrido[4,3-b:3′,4′-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, [8R-(4bS*,8α,8aβ,10aα,11β,14aS*,19aα,20bβ)]-
  • (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-Bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3′,2′-i]dipyrido[4,3-b:3′,4′-h]carbazole-1,8a,10a,18-tetrol
  • Binaltorphimine
  • NIH 10588

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