Try beta.chemspider
- Double-bond stereo
- 15 of 16 defined stereocentres
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(5S,6S,7R,9R,10R,11E,13E,16R)-4-Acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-h ydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)
CC(=O)OC1CC(=O)O[C@H](C)CC=CC=C[C@H](OC(=O)CC)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@H]1OC |t:12,14|
InChI=1S/C45H73NO16/c1-13-34(49)59-32-18-16-14-15-17-27(5)55-36(51)23-33(58-30(8)48)42(54-12)41(31(19-20-47)22-26(32)4)62-44-39(52)38(46(10)11)40(28(6)57-44)61-37-24-45(9,53)43(29(7)56-37)60-35(50)21-25(2)3/h14-16,18,20,25-29,31-33,37-44,52-53H,13,17,19,21-24H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29+,31+,32+,33?,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
NVBREHSOJSEKBQ-VXPSSPJFSA-N
CSID:110805938, http://www.chemspider.com/Chemical-Structure.110805938.html (accessed 05:32, Jun 14, 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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