Try beta.chemspider
- 7 of 12 defined stereocentres
(3beta,8xi,9xi,12beta,14xi,17xi,22R)-3-Acetoxy-16-hydroxyfurost-25-en-12-yl benzoate
O=C(O[C@H]3[C@]4(C(C1C([C@@]2(C(CC1)C[C@@H](OC(=O)C)CC2)C)C3)C[C@]5(O)O[C@H](CCC(=C)\C)[C@@H](C)C45)C)c6ccccc6
InChI=1S/C36H50O6/c1-21(2)12-15-30-22(3)32-35(6)29(20-36(32,39)42-30)27-14-13-25-18-26(40-23(4)37)16-17-34(25,5)28(27)19-31(35)41-33(38)24-10-8-7-9-11-24/h7-11,22,25-32,39H,1,12-20H2,2-6H3/t22-,25?,26+,27?,28?,29?,30-,31-,32?,34+,35-,36+/m1/s1
ITRDRRZEPRKTNY-UKMXXXEFSA-N
CSID:8161229, http://www.chemspider.com/Chemical-Structure.8161229.html (accessed 22:43, Jun 16, 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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