Try beta.chemspider
- 21 of 22 defined stereocentres
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,12aS,14aR,14bR)-10-acetoxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(3-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5([C@H]([C@H]([C@@]7([C@H]6CC(C([C@@H]7OC(=O)C=C(C)C)OC(=O)C)(C)C)CO)O)O)C)C)C)C(=O)O)O)O)O)O)O
InChI=1S/C49H76O18/c1-21(2)18-29(52)65-40-39(63-23(4)51)44(5,6)19-25-24-12-13-27-46(9)16-15-28(45(7,8)26(46)14-17-47(27,10)48(24,11)37(58)38(59)49(25,40)20-50)64-43-36(33(56)32(55)35(66-43)41(60)61)67-42-34(57)31(54)30(53)22(3)62-42/h12,18,22,25-28,30-40,42-43,50,53-59H,13-17,19-20H2,1-11H3,(H,60,61)/t22-,25+,26+,27-,28+,30-,31+,32+,33+,34+,35+,36-,37+,38-,39?,40+,42-,43-,46+,47-,48+,49+/m1/s1
NPOLGGWOGACJQL-UVXZLXGCSA-N
CSID:24713193, http://www.chemspider.com/Chemical-Structure.24713193.html (accessed 12:57, Apr 26, 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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