Try beta.chemspider
- 22 of 22 defined stereocentres
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetoxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1,5-dimethyl-2-oxo-hexyl]-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-tetrahydropyran-4-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] 3,4,5-trimethoxybenzoate
C[C@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC)OC)OC)OC(=O)C)O
InChI=1S/C55H82O22/c1-25(2)10-13-34(59)26(3)55(66)40(21-33-31-12-11-29-20-30(58)14-16-53(29,5)32(31)15-17-54(33,55)6)75-52-48(72-27(4)57)45(35(60)23-70-52)77-51-47(76-49(65)28-18-36(67-7)46(69-9)37(19-28)68-8)42(62)39(24-71-51)74-50-44(64)43(63)41(61)38(22-56)73-50/h11,18-19,25-26,30-33,35,38-45,47-48,50-52,56,58,60-64,66H,10,12-17,20-24H2,1-9H3/t26-,30+,31-,32+,33+,35+,38-,39-,40+,41-,42+,43+,44-,45+,47-,48-,50+,51+,52+,53+,54+,55-/m1/s1
YUJSAXKLULOKFG-KIMQJBCHSA-N
CSID:8709604, http://www.chemspider.com/Chemical-Structure.8709604.html (accessed 09:23, Apr 25, 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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