Try beta.chemspider
- Double-bond stereo
- 19 of 19 defined stereocentres
(1S,3S,4R,7R,9R,11S,15S,16R,17R,18S,19E,21E,25Z,29E,31E,33S,35S,36S,37S)-33-[(3-Amino-3,6-dideoxy-alpha-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicycl o[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
C[C@H]1C=CC=CCCC=CC=CC=CC=C[C@H](C[C@@H]2O[C@](O)(C[C@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)C[C@H](O)[C@@H]2C(O)=O)O[C@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O |c:8,t:2,4,10,12,14|
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5-,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,40-,41-,42+,43+,44-,46+,47+/m0/s1
VQOXZBDYSJBXMA-JKMCSYCMSA-N
CSID:107433140, http://www.chemspider.com/Chemical-Structure.107433140.html (accessed 04:41, 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
Advertisement
Spotlight