Try beta.chemspider
- Double-bond stereo
- 21 of 21 defined stereocentres
(2R,3R)-2,3-Dihydroxysuccinic acid - [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[4-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3,6-dideoxy-3-(dimethylamino)-alpha-D-glucopyranosyl]oxy} -2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-4-O-(3-methylbutanoyl)-beta-D-allopyranoside (1:1)
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)OC(=O)CC(C)C)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI=1S/C53H87NO19.C4H6O6/c1-16-39-36(26-65-52-49(64-15)48(63-14)47(32(8)68-52)71-40(59)21-27(2)3)22-28(4)17-18-37(57)29(5)23-35(19-20-55)45(30(6)38(58)24-41(60)70-39)73-51-44(61)43(54(12)13)46(31(7)67-51)72-42-25-53(11,62)50(33(9)66-42)69-34(10)56;5-1(3(7)8)2(6)4(9)10/h17-18,20,22,27,29-33,35-36,38-39,42-52,58,61-62H,16,19,21,23-26H2,1-15H3;1-2,5-6H,(H,7,8)(H,9,10)/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-;1-,2-/m11/s1
KWXNNLFPPKMIJU-WRVYPGGXSA-N
CSID:28536746, http://www.chemspider.com/Chemical-Structure.28536746.html (accessed 20:17, May 20, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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