Try beta.chemspider
- Charge
- 20 of 36 defined stereocentres
Sodium (3beta,5alpha,22R,23S)-6-{[(5xi)-6-deoxy-beta-D-xylo-hexopyranosyl-(1->2)-[(5xi)-6-deoxy-alpha-L-arabino-hexopyranosyl-(1->2)-(5xi)-6-deoxy-beta-D-xylo-hexopyranosyl-(1->4)]-6-deoxy-beta-D-eryt hro-hexopyranosyl-(1->3)-beta-D-erythro-hexopyranosyl]oxy}-20-hydroxy-22,23-epoxycholest-9(11)-en-3-yl sulfate
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)OC5[C@@H](C(O[C@H](C5O)OC6C[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)([C@H]1[C@@H](O1)CC(C)C)O)CO)O)C)O)O)O.[Na+]
InChI=1S/C57H94O28S.Na/c1-20(2)16-31-49(78-31)57(9,70)33-11-10-27-26-18-30(29-17-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)79-52-44(69)46(37(62)32(19-58)80-52)82-54-48(84-51-42(67)39(64)35(60)22(4)75-51)43(68)45(24(6)77-54)81-53-47(40(65)36(61)23(5)76-53)83-50-41(66)38(63)34(59)21(3)74-50;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21?,22?,23?,24?,25-,26-,27-,29+,30?,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
JFERPOMRIOUTHY-HSWFIEMZSA-M
CSID:29213524, http://www.chemspider.com/Chemical-Structure.29213524.html (accessed 14:13, 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
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