Calebassine

CAS Registry Number®

7257-29-6
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CAS Name

Calebassine

Molecular Formula

C40H48N4O2

Cite this Page

Calebassine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7257-29-6 (retrieved 2024-04-30) (CAS RN: 7257-29-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H48N4O2/c1-5-23-21-43(3)17-15-37-27-11-7-10-14-30(27)42-36-34-26-20-32-38(16-18-44(32,4)22-24(26)6-2)28-12-8-9-13-29(28)41(40(34,38)46)35(36)33(39(37,42)45)25(23)19-31(37)43/h5-14,25-26,31-36,45-46H,15-22H2,1-4H3/q+2

InChIKey

InChIKey=HVWCEUHZKLPKRE-UHFFFAOYSA-N

SMILES

OC12C34C5[N+](C)(CC3)CC(=CC)C(C1C6C(N2C=7C4=CC=CC7)C8C9(O)N6C=%10C(C9%11C%12CC8C(=CC)C[N+]%12(C)CC%11)=CC=CC%10)C5

Canonical SMILES

OC12N3C=4C=CC=CC4C52CC[N+]6(C)CC(=CC)C(CC56)C1C7N8C=9C=CC=CC9C%10%11CC[N+]%12(C)CC(=CC)C(CC%10%12)C(C37)C8%11O

Other Names for this Substance

  • 9H,19H-1,19:9,11-Diethanoindolo[1′′,2′′,3′′:1′,7′]pyrrolo[2′′′,3′′′:6′,7′]indolo[2′,3′:4,5]pyrrolo[1,2,3-lm]pyrrolo[2,3-d]carbazolium, 21,24-diethylidene-2,3,8a,8b,8c,10,10a,12,13,18a,18b,18c,20,20a-tetradecahydro-8c,18c-dihydroxy-1,11-dimethyl-, (1S,3aR,8aR,8bR,8cS,9R,10aR,11S,13aR,18aR,18bR,18cS,19R,20aR,21E,24E)-
  • C-Calebassine
  • C-Toxiferine II
  • (1S,3aR,8aR,8bR,8cS,9R,10aR,11S,13aR,18aR,18bR,18cS,19R,20aR,21E,24E)-21,24-Diethylidene-2,3,8a,8b,8c,10,10a,12,13,18a,18b,18c,20,20a-tetradecahydro-8c,18c-dihydroxy-1,11-dimethyl-9H,19H-1,19:9,11-diethanoindolo[1′′,2′′,3′′:1′,7′]pyrrolo[2′′′,3′′′:6′,7′]indolo[2′,3′:4,5]pyrrolo[1,2,3-lm]pyrrolo[2,3-d]carbazolium
  • Calebassine

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Deleted or Replaced CAS Registry Numbers

1361-64-4, 1396-96-9, 28379-13-7

CAS INSIGHTSTM
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