7-Xylosyltaxol

CAS Registry Number®

90332-66-4
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CAS Name

7-Xylosyltaxol

Molecular Formula

C52H59NO18

Molecular Mass

986.02

Cite this Page

7-Xylosyltaxol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90332-66-4 (retrieved 2024-05-20) (CAS RN: 90332-66-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H59NO18/c1-26-33(68-47(63)39(58)37(29-16-10-7-11-17-29)53-45(61)30-18-12-8-13-19-30)23-52(64)44(70-46(62)31-20-14-9-15-21-31)42-50(6,43(60)41(67-27(2)54)36(26)49(52,4)5)34(22-35-51(42,25-66-35)71-28(3)55)69-48-40(59)38(57)32(56)24-65-48/h7-21,32-35,37-42,44,48,56-59,64H,22-25H2,1-6H3,(H,53,61)/t32-,33+,34+,35-,37+,38+,39-,40-,41-,42+,44+,48+,50-,51+,52-/m1/s1

InChIKey

InChIKey=ZVEGOBHUZTXSFK-TZIKQHFSSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)C[C@]1(OC2)[H])C(=O)[C@H](OC(C)=O)C=5C(C)(C)[C@](O)([C@H]3OC(=O)C6=CC=CC=C6)C[C@H](OC([C@@H]([C@@H](NC(=O)C7=CC=CC=C7)C8=CC=CC=C8)O)=O)C5C)[H]

Canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(OC4OCC(O)C(O)C4O)C2(C(=O)C(OC(=O)C)C5=C(C)C(OC(=O)C(O)C(NC(=O)C=6C=CC=CC6)C=7C=CC=CC7)CC1(O)C5(C)C)C)C=8C=CC=CC8

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)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(D-xylopyranosyloxy)-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)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(D-xylopyranosyloxy)-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]]-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
  • Taxol-7-xyloside
  • 7-Xylosyltaxol

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Deleted or Replaced CAS Registry Numbers

92933-57-8

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