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- 22 of 22 defined stereocentres
[(2S,3S,4S,5R)-2-[(2S,3R,4R,5S)-3-acetoxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1,5-dimethyl-2-oxo-hexyl]-17-hydroxy-10,13-dimethyl-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl] 4-methoxybenzoate
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@H]5[C@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O)C)C)O[C@H]6[C@@H]([C@@H]([C@H](CO6)O)O[C@H]7[C@H]([C@H]([C@@H](CO7)O)O)OC(=O)c8ccc(cc8)OC)OC(=O)C)O
InChI=1S/C53H78O20/c1-25(2)8-15-35(56)26(3)53(64)39(21-34-32-14-11-29-20-31(16-18-51(29,5)33(32)17-19-52(34,53)6)69-48-43(62)42(61)41(60)38(22-54)70-48)71-50-46(68-27(4)55)44(37(58)24-67-50)73-49-45(40(59)36(57)23-66-49)72-47(63)28-9-12-30(65-7)13-10-28/h9-13,25-26,31-34,36-46,48-50,54,57-62,64H,8,14-24H2,1-7H3/t26-,31+,32-,33+,34+,36-,37+,38+,39+,40+,41-,42+,43+,44-,45+,46-,48-,49+,50+,51+,52+,53-/m1/s1
DHFXTGDEERXNBZ-YVSAPPQDSA-N
CSID:30845017, http://www.chemspider.com/Chemical-Structure.30845017.html (accessed 06:04, Apr 30, 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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