Try beta.chemspider
- Double-bond stereo
- 19 of 21 defined stereocentres
(4S,5R,6R,7S,9S,11Z,13Z,15S,16S)-15-{[(6-Deoxy-2,3-di-O-methyl-beta-L-erythro-hexopyranosyl)oxy]methyl}-6-({3,6-dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)-alpha-D-ribo-hexopyranosyl]-3 -(dimethylamino)-beta-L-glucopyranosyl}oxy)-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate
CC(C)CC(=O)O[C@@H]1[C@@H](C)O[C@@H](C[C@]1(C)O)O[C@@H]1[C@H]([C@H](O)[C@H](O[C@H]1C)O[C@@H]1[C@@H](C[C@H](C)C(=O)C=CC(C)=C[C@@H](CO[C@H]2O[C@@H](C)[C@H](O)C(OC)C2OC)[C@H](CC)OC(=O)C[C@H](OC(C)=O)[C@H]1C)CC=O)N(C)C |c:35,38|
InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17-,28-22-/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48?,49?,50+,51+,52-,53-/m0/s1
KCJJINQANFZSAM-XIGANYOESA-N
CSID:111313084, http://www.chemspider.com/Chemical-Structure.111313084.html (accessed 05:08, Jul 8, 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