- Double-bond stereo
- 8 of 10 defined stereocentres
(1S)-6-O-Acetyl-3-O-[(4xi)-4-C-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-threo-hexopyranosyl]-1-[(1R)-4-amino-3-carboxy-1-hydroxy-2,5-dioxo-3-cyclohexen-1-yl]-1,5-anhydro-4-O-[(2Z)-2-isothiocyanato-2-bute noyl]-D-allitol
O=C1C(\C(=O)O)=C(\N)C(=O)CC1(O)[C@H]3O[C@@H]([C@@H](OC(=O)C(\N=C=S)=C\C)[C@@H](O[C@@H]2O[C@H](C(O)(C(=O)C)[C@@H](OC)C2)C)[C@H]3O)COC(=O)C
InChI=1S/C29H36N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,12,16-18,21-23,25,35,40-41H,7-9,30H2,1-5H3,(H,37,38)/b14-6-/t12-,16+,17-,18-,21+,22+,23-,25-,28?,29?/m0/s1
ZIOGVGDMWOZVBR-ICJJGLLBSA-N
CSID:8231071, http://www.chemspider.com/Chemical-Structure.8231071.html (accessed 15:54, Mar 29, 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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