Try beta.chemspider
- Double-bond stereo
- 14 of 15 defined stereocentres
(1R,6Z,9R,11R,12R,13S,16Z,19S,23R,25S,27S,31S)-11-{(1E)-1-[2-({(2R,4R)-6-[(1R,2E,4E,6R,8E)-9-Bromo-1-hydroxy-6-methoxy-3-methyl-2,4,8-nonatrien-1-yl]-2-hydroxy-4-methoxytetrahydro-2H-pyran-2-yl}methyl )-1,3-oxazol-4-yl]-1-propen-2-yl}-27-hydroxy-12,31-dimethyl-21-methylene-4,10,14,29,30-pentaoxa-32-azapentacyclo[23.3.1.1~2,5~.1~9,13~.1~19,23~]dotriaconta-2,5(32),6,16-tetraen-15-one
C[C@H]1[C@H]2C/C=C\c3nc(co3)[C@H]4C[C@H](C[C@H](O4)C[C@H]5CC(=C)C[C@@H](O5)C/C=C\C(=O)O[C@@H]1[C@H]([C@@H](O2)/C(=C/c6coc(n6)C[C@]7(C[C@@H](CC(O7)[C@@H](/C=C(\C)/C=C/[C@@H](C/C=C/Br)OC)O)OC)O)/C)C)O
InChI=1S/C53H71BrN2O13/c1-31(16-17-38(61-6)12-10-18-54)21-44(58)47-26-42(62-7)27-53(60,69-47)28-49-55-36(29-63-49)22-33(3)51-35(5)52-34(4)45(67-51)13-9-14-48-56-43(30-64-48)46-24-37(57)23-41(66-46)25-40-20-32(2)19-39(65-40)11-8-15-50(59)68-52/h8-10,14-18,21-22,29-30,34-35,37-42,44-47,51-52,57-58,60H,2,11-13,19-20,23-28H2,1,3-7H3/b14-9-,15-8-,17-16+,18-10+,31-21+,33-22+/t34-,35-,37-,38+,39-,40+,41-,42+,44+,45+,46+,47?,51-,52-,53+/m0/s1
RIMCCZQKPGAGSV-YKMDBMOTSA-N
CSID:28283173, http://www.chemspider.com/Chemical-Structure.28283173.html (accessed 14:32, May 2, 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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