Try beta.chemspider
- 32 of 32 defined stereocentres
(3beta,16beta)-16-({2-O-Acetyl-3-O-[2-O-(3,4-dimethoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl -(1->6)-beta-D-glucopyranoside
O[C@@H]%10[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]%10O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC[C@H]9O[C@@H](O[C@@H]7C\C8=C\C[C@@H]6[C@H](CC[C@@]5(C)[C@H]6C[C@H](O[C@@H]4OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c2ccc(OC)c(OC)c2)[C@H]4OC(C)=O)[C@]5(O)[C@H](C)C(=O)CCC(C)C)[C@@]8(C)CC7)[C@H](O)[C@@H](O)[C@@H]9O
InChI=1S/C66H100O31/c1-27(2)9-13-36(70)28(3)66(83)44(94-63-57(89-29(4)69)54(38(72)25-87-63)96-62-56(45(73)37(71)24-86-62)95-58(82)30-10-14-39(84-7)40(19-30)85-8)21-35-33-12-11-31-20-32(15-17-64(31,5)34(33)16-18-65(35,66)6)90-60-51(79)49(77)47(75)43(93-60)26-88-59-53(81)50(78)55(42(23-68)92-59)97-61-52(80)48(76)46(74)41(22-67)91-61/h10-11,14,19,27-28,32-35,37-38,41-57,59-63,67-68,71-81,83H,9,12-13,15-18,20-26H2,1-8H3/t28-,32+,33-,34+,35+,37-,38+,41-,42-,43-,44+,45+,46-,47-,48+,49+,50-,51-,52-,53-,54+,55-,56-,57-,59-,60-,61+,62+,63+,64+,65+,66-/m1/s1
ZFJWITSYHMOZQR-RWVMUUOHSA-N
CSID:9237396, http://www.chemspider.com/Chemical-Structure.9237396.html (accessed 16:09, May 4, 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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