- 21 of 22 defined stereocentres
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetoxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17R)-17-(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
O=C(CCC(C)C)C(C)[C@@]6(O)[C@@]7(C)CC[C@@H]1[C@@]8(C(=C/C[C@H]1[C@@H]7C[C@@H]6O[C@@H]5OC[C@H](O)[C@H](O[C@@H]4OC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]4OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H]5OC(=O)C)\C[C@@H](O)CC8)C
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-/m0/s1
YUJSAXKLULOKFG-CFEGXNRXSA-N
CSID:8187004, http://www.chemspider.com/Chemical-Structure.8187004.html (accessed 13:51, Apr 19, 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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