Try beta.chemspider
- Charge
- 32 of 33 defined stereocentres
Sodium (3S,5S,6S,8S,10S,13S,14S,17S)-6-{[(2R,3R,4R,6R)-4-{[(2S,3R,4S,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-3,5,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]o xy}-17-(2-hydroxy-6-methyl-4-oxo-2-heptanyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)O)O)O[C@@H]5[C@H]([C@@H](O[C@@H](C5(O)O)C)O[C@H]6C[C@H]7[C@@H]8CC[C@@H]([C@]8(CC=C7[C@@]9([C@@H]6C[C@H](CC9)OS(=O)(=O)[O-])C)C)C(C)(CC(=O)CC(C)C)O)O)C)C)O)O)O)O)O.[Na+]
InChI=1S/C57H94O28S.Na/c1-21(2)17-27(58)20-56(10,69)34-12-11-30-29-19-33(32-18-28(85-86(72,73)74)13-15-54(32,8)31(29)14-16-55(30,34)9)80-51-44(68)48(57(70,71)26(7)79-51)84-53-47(83-50-42(66)39(63)36(60)23(4)76-50)43(67)45(25(6)78-53)81-52-46(40(64)37(61)24(5)77-52)82-49-41(65)38(62)35(59)22(3)75-49;/h14,21-26,28-30,32-53,59-71H,11-13,15-20H2,1-10H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,26-,28+,29+,30+,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54-,55+,56?;/m1./s1
BAAWAGOVXIQNKQ-RHZHUDIJSA-M
CSID:29215841, http://www.chemspider.com/Chemical-Structure.29215841.html (accessed 23:09, Jul 3, 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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