Try beta.chemspider
- Double-bond stereo
- 19 of 19 defined stereocentres
(1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25S,27S,30S,31S,33R,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](C[C@@H]2O[C@@](O)(C[C@H](O)[C@H]2C(O)=O)C[C@H](O)C[C@H](O)[C@@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O |t:2,4,6,8,10,12,14|
InChI=1S/C47H73NO17/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)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,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
APKFDSVGJQXUKY-UBBNMAPHSA-N
CSID:103846869, http://www.chemspider.com/Chemical-Structure.103846869.html (accessed 20:57, 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
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