Try beta.chemspider
- Double-bond stereo
- 11 of 11 defined stereocentres
- Non-standard isotope
(2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl (2E)-2-methyl(4,4,4-~2~H_3_)-2-butenoate
C([2H])([2H])([2H])/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@](C)([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)C(=O)[C@@H](C4=C(C)[C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](C5=CC=CC=C5)N=C(C6=CC=CC=C6)O)O)OC(=O)C [2H]C([2H])([2H])/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)C)OC(=O)C)C
InChI=1S/C45H53NO14/c1-9-23(2)40(53)59-38-36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32-24(3)29(21-45(38,55)42(32,6)7)58-41(54)34(50)33(27-16-12-10-13-17-27)46-39(52)28-18-14-11-15-19-28/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1/i1D3
YJXDCLDHHJRTGV-GCQJQMOOSA-N
CSID:58782746, http://www.chemspider.com/Chemical-Structure.58782746.html (accessed 00:15, May 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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