Try beta.chemspider
- Charge
- 13 of 27 defined stereocentres
Disodium 3-({[(3R,4S,5R)-4-{[(3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-6-{[(3S,5R)-4,5-dihydroxy-6-({(3R,5R)-4-hydroxy-2-{[(3S,5aS,11aR,11bS)-3,5a,8,8,11a-pentamet hyl-3-(4-methyl-4-penten-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl]oxy}-5-[(trioxidan-3-id-1-ylsulfanyl)oxy]tetrahydro-2H-pyra n-3-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxytetrahydro-2H-pyran-2-yl]methoxy}sulfanyl)trioxidan-1-ide
CC1[C@H](C([C@H](C(O1)O[C@@H]2C([C@@H](COC2OC3CC[C@@]4([C@@H]5CCC67C(C(=O)C[C@]6(C5=CCC4C3(C)C)C)[C@](OC7=O)(C)CCCC(=C)C)C)OSOOO[Na])O)O)O)OC8[C@@H]([C@H]([C@@H](C(O8)COSOOO[Na])O)OC9[C@@H](C([C@@H](C(O9)CO)O)OC)O)O
InChI=1S/C54H84O28S2.2Na/c1-23(2)11-10-16-53(8)44-27(56)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(64)77-53)73-48-43(35(59)30(21-68-48)78-84-82-80-66)76-45-37(61)36(60)40(24(3)70-45)74-47-39(63)42(34(58)29(72-47)22-69-83-81-79-65)75-46-38(62)41(67-9)33(57)28(20-55)71-46;;/h12,24-25,28-48,55,57-63,65-66H,1,10-11,13-22H2,2-9H3;;/q;2*+1/p-2/t24?,25-,28?,29?,30-,31?,32?,33-,34-,35?,36?,37-,38-,39-,40-,41?,42+,43-,44?,45?,46?,47?,48?,51-,52+,53+,54?;;/m1../s1
FQJHKIJJCLXLEN-MFRAWTFKSA-L
CSID:28285646, http://www.chemspider.com/Chemical-Structure.28285646.html (accessed 16:37, Jul 4, 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
Click to predict properties on the Chemicalize site
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