Try beta.chemspider
- Charge
- 24 of 36 defined stereocentres
Sodium (3beta,5alpha,6alpha,22R,23S,24S)-6-{[(5xi)-6-deoxy-beta-D-xylo-hexopyranosyl-(1->2)-[(5xi)-6-deoxy-alpha-L-arabino-hexopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->4)]-6-deoxy-beta-D-glucopyr anosyl-(1->3)-beta-D-glucopyranosyl]oxy}-20-hydroxy-22,23-epoxyergost-9(11)-en-3-yl sulfate
C[C@H]1[C@H](C(C([C@@H](O1)OC2[C@@H]([C@@H](O[C@H](C2O)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]([C@]5(CC=C4[C@@]6([C@@H]3C[C@H](CC6)OS(=O)(=O)[O-])C)C)[C@](C)([C@H]7[C@@H](O7)[C@@H](C)C(C)C)O)CO)O)O[C@H]8C(C([C@@H](C(O8)C)O)O)O)O)O[C@H]9C(C([C@H](CO9)O)O)O[C@H]1C(C([C@H](C(O1)C)O)O)O.[Na+]
InChI=1S/C57H94O28S.Na/c1-20(2)21(3)44-49(80-44)57(9,70)33-11-10-27-26-17-31(29-16-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)78-52-43(69)46(37(63)32(18-58)79-52)82-54-48(84-51-41(67)39(65)35(61)23(5)76-51)42(68)45(24(6)77-54)81-53-47(36(62)30(59)19-74-53)83-50-40(66)38(64)34(60)22(4)75-50;/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
RQOPNKOMIIJJIG-XABKANRFSA-M
CSID:29213477, http://www.chemspider.com/Chemical-Structure.29213477.html (accessed 23:24, 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
Advertisement
Spotlight