Protaxel

CAS Registry Number®

186040-50-6

CAS Name

Protaxel

Molecular Formula

C51H57NO18

Molecular Mass

972.00

Cite this Page

Protaxel.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=186040-50-6 (retrieved 2025-05-22) (CAS RN: 186040-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H57NO18/c1-27-34(67-46(61)39(57)38(30-16-10-7-11-17-30)52-44(59)31-18-12-8-13-19-31)23-51(63)43(69-45(60)32-20-14-9-15-21-32)41-49(6,42(58)40(66-28(2)54)37(27)48(51,4)5)35(68-47(62)64-25-33(56)24-53)22-36-50(41,26-65-36)70-29(3)55/h7-21,33-36,38-41,43,53,56-57,63H,22-26H2,1-6H3,(H,52,59)/t33?,34-,35-,36+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1

InChIKey

InChIKey=HSUDWURBWSUCOB-JPHWUADUSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](OC(OCC(CO)O)=O)C[C@]1(OC2)[H])C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)O)=O)C4C)[H]

Canonical SMILES

O=C(OCC(O)CO)OC1CC2OCC2(OC(=O)C)C3C(OC(=O)C=4C=CC=CC4)C5(O)CC(OC(=O)C(O)C(NC(=O)C=6C=CC=CC6)C=7C=CC=CC7)C(=C(C(OC(=O)C)C(=O)C13C)C5(C)C)C

Other Names for this Substance

  • Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-4-[[(2,3-dihydroxypropoxy)carbonyl]oxy]-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
  • Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-4-[[(2,3-dihydroxypropoxy)carbonyl]oxy]-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
  • BP 179
  • Protaxel
  • Paclitaxel ceribate

CAS INSIGHTSTM
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