7-Xylosyl-10-deacetyltaxol

CAS Registry Number®

90332-63-1
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CAS Name

7-Xylosyl-10-deacetyltaxol

Molecular Formula

C50H57NO17

Molecular Mass

943.98

Cite this Page

7-Xylosyl-10-deacetyltaxol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=90332-63-1 (retrieved 2024-04-29) (CAS RN: 90332-63-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40+,42+,46+,48-,49+,50-/m1/s1

InChIKey

InChIKey=ORKLEZFXASNLFJ-DYLQFHMVSA-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](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(O)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)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-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-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-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.
  • 10-Deacetyltaxol 7-xyloside
  • 10-Deacetyl-7-xylosyltaxol

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Deleted or Replaced CAS Registry Numbers

139746-62-6, 92933-58-9, 181310-04-3, 874910-59-5, 1000777-84-3

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