Try beta.chemspider
- Double-bond stereo
- 10 of 11 defined stereocentres
(2alpha,3xi,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-({(2R,3S)-3-(benzoylamino)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-phenylpropanoyl}oxy)-1,7-dihydroxy-9-oxo-5,20-epox ytax-11-en-2-yl benzoate
O=C(c1ccccc1)N[C@@H](c2ccccc2)[C@@H](OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(=O)O[C@@H]5C(=C4/[C@@H](OC(=O)C)C(=O)[C@]7(C([C@H](OC(=O)c3ccccc3)[C@@](O)(C4(C)C)C5)[C@@]6(OC(=O)C)[C@H](OC6)C[C@@H]7O)C)/C
InChI=1S/C69H81NO15/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42-55(74)83-59(57(49-36-29-26-30-37-49)70-63(76)50-38-31-27-32-39-50)65(78)82-52-44-69(79)62(84-64(77)51-40-33-28-34-41-51)60-67(7,53(73)43-54-68(60,45-80-54)85-48(4)72)61(75)58(81-47(3)71)56(46(52)2)66(69,5)6/h9-10,12-13,15-16,18-19,21-22,24-34,36-41,52-54,57-60,62,73,79H,8,11,14,17,20,23,35,42-45H2,1-7H3,(H,70,76)/b10-9-,13-12-,16-15-,19-18-,22-21-,25-24-/t52-,53-,54+,57-,58+,59+,60?,62-,67+,68-,69+/m0/s1
LRCZQSDQZJBHAF-BUGMLOOLSA-N
CSID:8074040, http://www.chemspider.com/Chemical-Structure.8074040.html (accessed 12:40, 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
Advertisement
Spotlight