Try beta.chemspider
- Charge
- 18 of 33 defined stereocentres
Sodium (3S,5S,6S,8S,10S,13S,14S,17S)-6-{[(2R)-4-{[(2S,5S)-5-{[(2S,5R)-4,5-dihydroxy-6-methyl-3-{[(2S,5R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6 -methyl-3-{[(2S,5S)-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]oxy}-17-[(2S)-2-hydroxy-6-methyl-4-oxo-2-hepta nyl]-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 (non-preferred name)
CC1[C@@H](C(C([C@@H](O1)OC2[C@@H](OC([C@@H](C2O)O)C)O[C@@H]3C(O[C@H](C(C3O)O[C@H]4C(C([C@@H](C(O4)C)O)O)O)OC5C([C@@H](OC(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)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-;/m0./s1
BAAWAGOVXIQNKQ-UVXFKWNOSA-M
CSID:34981795, http://www.chemspider.com/Chemical-Structure.34981795.html (accessed 13:31, Jul 6, 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
Advertisement
Spotlight