10-Deacetyl-7-xylosyltaxol B

CAS Registry Number®

90332-64-2

CAS Name

10-Deacetyl-7-xylosyltaxol B

Molecular Formula

C48H59NO17

Molecular Mass

921.98

Cite this Page

10-Deacetyl-7-xylosyltaxol B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90332-64-2 (retrieved 2024-11-25) (CAS RN: 90332-64-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H59NO17/c1-8-23(2)41(57)49-33(26-15-11-9-12-16-26)36(54)43(59)63-29-20-48(60)40(65-42(58)27-17-13-10-14-18-27)38-46(7,39(56)35(53)32(24(29)3)45(48,5)6)30(19-31-47(38,22-62-31)66-25(4)50)64-44-37(55)34(52)28(51)21-61-44/h8-18,28-31,33-38,40,44,51-55,60H,19-22H2,1-7H3,(H,49,57)/b23-8+/t28-,29+,30+,31-,33+,34+,35-,36-,37-,38+,40+,44+,46-,47+,48-/m1/s1

InChIKey

InChIKey=YAOWLIDDDUBAEI-ZVZSAYPQSA-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(/C(=C/C)/C)=O)C7=CC=CC=C7)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(=CC)C)C=6C=CC=CC6)CC1(O)C5(C)C)C)C=7C=CC=CC7

Other Names for this Substance

  • Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (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
  • Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-, 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,9a[αR*,βS*(E)],11α,12α,12aα,12bα]]-
  • Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (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)-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
  • 10-Deacetylcephalomannine 7-xyloside

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Deleted or Replaced CAS Registry Numbers

143478-90-4

CAS INSIGHTSTM
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