Taxine B

CAS Registry Number®

1361-51-9

CAS Name

Taxine B

Molecular Formula

C33H45NO8

Molecular Mass

583.71

Cite this Page

Taxine B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1361-51-9 (retrieved 2024-11-22) (CAS RN: 1361-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3

InChIKey

InChIKey=XMZFIBDTPOUHMW-UHFFFAOYSA-N

SMILES

CC12C(C(O)C3(O)C(C)(C)C(C(OC(C)=O)C1O)=C(C)C(=O)C3)C(=C)C(OC(CC(N(C)C)C4=CC=CC=C4)=O)CC2

Canonical SMILES

O=C(OC1C2=C(C(=O)CC(O)(C(O)C3C(=C)C(OC(=O)CC(C=4C=CC=CC4)N(C)C)CCC3(C)C1O)C2(C)C)C)C

Other Names for this Substance

  • Benzenepropanoic acid, β-(dimethylamino)-, (3S,4aR,5S,6R,11R,12R,12aR)-11-(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,6,12-trihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, (βS)-
  • Benzenepropanoic acid, β-(dimethylamino)-, 11-(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,6,12-trihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, [3S-[3α(S*),4aα,5α,6α,11β,12α,12aβ]]-
  • Taxine B
  • 6,10-Methanobenzocyclodecene, benzenepropanoic acid deriv.

Deleted or Replaced CAS Registry Numbers

1361-50-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration