Try beta.chemspider
- Double-bond stereo
- 6 of 15 defined stereocentres
(1R,6E,9S,11S,12R,13R,16Z,19R,23R,25S,27S,31R)-11-{(1E)-1-[2-({(2R,4R,6S)-6-[(1S,2E,4E,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]1C2C(C(C/C=C/c3nc(co3)[C@H]4C[C@H](C[C@H](O4)C[C@H]5CC(=C)CC(O5)C/C=C\C(=O)O2)O)OC1/C(=C/c6coc(n6)CC7(C[C@@H](CC(O7)C(/C=C(\C)/C=C/C(C/C=C/Br)OC)O)OC)O)/C)C
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-UXLNEZCCSA-N
CSID:23076233, http://www.chemspider.com/Chemical-Structure.23076233.html (accessed 06:52, May 13, 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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