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- Charge
- 19 of 36 defined stereocentres
Sodium (3beta,5alpha,6alpha,24xi)-6-{[6-deoxy-beta-D-glycero-hexopyranosyl-(1->2)-[6-deoxy-beta-D-glycero-hexopyranosyl-(1->2)-alpha-L-glycero-hexopyranosyl-(1->4)]-beta-D-glycero-pentopyranosyl-(1->3 )-6-deoxy-beta-D-glycero-hexopyranosyl]oxy}-20-hydroxy-22,23-epoxyergost-9(11)-en-3-yl sulfate
CC1[C@H](C(C([C@@H](O1)OC2[C@@H](OC[C@H](C2O)O[C@H]3C(C([C@H](C(O3)CO)O)O)O[C@H]4C(C([C@@H](C(O4)C)O)O)O)OC5[C@@H](C(O[C@H](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)(C1C(O1)C(C)C(C)C)O)C)O)O)O)O.[Na+]
InChI=1S/C57H94O28S.Na/c1-20(2)21(3)45-49(81-45)57(9,70)33-11-10-27-26-17-30(29-16-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)78-52-44(69)46(36(61)24(6)77-52)82-53-47(83-50-42(67)39(64)34(59)22(4)75-50)38(63)32(19-74-53)80-54-48(41(66)37(62)31(18-58)79-54)84-51-43(68)40(65)35(60)23(5)76-51;/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
JBTFSALPDREGRY-HXBLBXMJSA-M
CSID:34981793, http://www.chemspider.com/Chemical-Structure.34981793.html (accessed 12:49, 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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