Try beta.chemspider
- Double-bond stereo
- 17 of 17 defined stereocentres
(3alpha,5beta,8alpha,9beta,10alpha,14beta,16alpha,17alpha,18alpha,21alpha,22beta)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-L-glucopyranosiduronic acid
CC1(C)C[C@@H]2C3=CC[C@H]4[C@]5(C)CC[C@@H](O[C@H]6O[C@H]([C@H](O)[C@@H](O)[C@@H]6O)C(O)=O)[C@](C)(CO)[C@H]5CC[C@]4(C)[C@@]3(C)C[C@@H](O)[C@]2(COC(C)=O)[C@H](O)[C@H]1OC(=O)/C(/C)=C/C
InChI=1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m1/s1
VEFSVJGWJQPWFS-UYWBYOQGSA-N
CSID:82964759, http://www.chemspider.com/Chemical-Structure.82964759.html (accessed 07:34, Apr 29, 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
Advertisement
Spotlight