Try beta.chemspider
- Double-bond stereo
- 16 of 16 defined stereocentres
(2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-5-Acetoxy-6-{[(4R,5S,6S,7R,9R,10R,11E,16R)-4,10-diacetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-2-methy ltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl butanoate (non-preferred name)
CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)OC(=O)C)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=CC[C@H](OC(=O)C[C@H]([C@@H]3OC)OC(=O)C)C)OC(=O)C)C)CC=O)C)C
InChI=1S/C45H71NO17/c1-13-17-35(51)61-43-28(5)56-37(24-45(43,9)53)62-39-27(4)57-44(42(60-31(8)50)38(39)46(10)11)63-40-32(20-21-47)22-25(2)33(58-29(6)48)19-16-14-15-18-26(3)55-36(52)23-34(41(40)54-12)59-30(7)49/h14-16,19,21,25-28,32-34,37-44,53H,13,17-18,20,22-24H2,1-12H3/b15-14?,19-16+/t25-,26-,27-,28+,32+,33+,34-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
HRUCVTBGGOHZOO-QARPKULISA-N
CSID:58172738, http://www.chemspider.com/Chemical-Structure.58172738.html (accessed 13:47, May 21, 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
Advertisement
Spotlight