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- Charge
- 9 of 34 defined stereocentres
Sodium (3beta,5alpha,6alpha)-6-{[6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->4)]-6-deoxyhexopyranosyl-(1->3)-6-deoxyhexopyranosyl]oxy}-20-hydroxy-23-oxocholest-9(11)-en-3 -yl sulfate
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(C(C3O)OC4C(C(C(C(O4)C)O)O)O)OC5C(C(OC(C5O)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)C)O)C)CO)O)O)O)O)O.[Na+]
InChI=1S/C57H94O28S.Na/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(37(62)24(5)77-52)82-53-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(25(6)78-53)81-54-48(41(66)38(63)33(20-58)80-54)83-50-42(67)39(64)35(60)22(3)75-50;/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22?,23?,24?,25?,27-,28-,29-,31+,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-,57-;/m0./s1
SMDXVILJWNPKBH-ZBRUUNIRSA-M
CSID:27025634, http://www.chemspider.com/Chemical-Structure.27025634.html (accessed 22:51, 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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