Try beta.chemspider
- 23 of 23 defined stereocentres
(1S,3R,5S,6S,7S,8R,10S,13S,14S,15R,17S,18R,19S,20S,21R,24R,27R,30R,31R,34R,35R,39S)-6,7,13,14,18,19,20-Heptahydroxy-31,35-dimethyl-30-[(2R)-6-methyl-4-oxo-2-heptanyl]-2,4,9,11,16,23,40-heptaoxaoctacyc lo[22.13.2.1~17,21~.0~3,8~.0~10,15~.0~26,34~.0~27,31~.0~35,39~]tetracont-25-ene-5-carboxylic acid
C[C@H](CC(=O)CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]4[C@@H]5[C@@]3(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO4)O)O)O)C)C
InChI=1S/C44H68O17/c1-18(2)12-20(45)13-19(3)23-6-7-24-22-15-28-26-14-21(8-10-44(26,5)25(22)9-11-43(23,24)4)57-42-38(34(51)33(50)36(59-42)39(53)54)61-41-37(30(47)27(46)16-56-41)60-40-35(52)32(49)31(48)29(58-40)17-55-28/h15,18-19,21,23-38,40-42,46-52H,6-14,16-17H2,1-5H3,(H,53,54)/t19-,21+,23-,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+,37-,38-,40+,41+,42-,43-,44-/m1/s1
BRDITHFVCMCJAY-QCKMZYDHSA-N
CSID:35517083, http://www.chemspider.com/Chemical-Structure.35517083.html (accessed 16:17, Jun 1, 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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