Try beta.chemspider
- 11 of 11 defined stereocentres
- Non-standard isotope
(1beta,2beta,3beta,4alpha,5alpha,7alpha,8alpha,10alpha,13beta)-4,10-Diacetoxy-13-{[(2S,3R)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl (~2~H_5_)benzo ate
[2H]C1=C(C(=O)O[C@@H]2[C@H]3[C@]4(CO[C@H]4C[C@@H](O)[C@]3(C)C(=O)[C@@H](OC(C)=O)C3=C(C)[C@@H](C[C@@]2(O)C3(C)C)OC(=O)[C@@H](O)[C@H](NC(=O)C2C=CC=CC=2)C2C=CC=CC=2)OC(C)=O)C([2H])=C([2H])C([2H])=C1[2H]
InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m1/s1/i9D,14D,15D,20D,21D
RCINICONZNJXQF-KJMFPXNZSA-N
CSID:78076002, http://www.chemspider.com/Chemical-Structure.78076002.html (accessed 16:12, May 12, 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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