Try beta.chemspider
- Double-bond stereo
- 11 of 12 defined stereocentres
(6S,9S,15E,20S,21R,24R,25R,29R,31aS,37S,39aS)-12-[(2S)-2-Butanyl]-29-ethyl-25-hydroxy-9,37-diisopropyl-16-methoxy-6-(methoxymethyl)-7,10,13,17,20,21,24,38-octamethyl-1,2,3,6,7,9,10,12,13,20,21,24,25,2 6,27,28,29,31a,32,33,34,37,38,39a-tetracosahydro-5H,23H,31H-dipyrrolo[2,1-c:2',1'-i][1,28,4,7,10,13,16,19]dioxahexaazacyclopentatriacontine-5,8,11,14,23,31,36,39(19H)-octone
CC[C@@H]1CCC[C@H]([C@H](C(=O)O[C@@H]([C@H](C/C=C(/C(=C\C(=O)N(C(C(=O)N([C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC[C@H]3C(=O)O1)C(C)C)C)COC)C)C(C)C)C)[C@@H](C)CC)C)/OC)\C)C)C)C)O
InChI=1S/C56H94N6O13/c1-18-35(7)49-53(68)60(15)47(33(3)4)52(67)57(12)43(32-72-16)51(66)61-29-21-24-41(61)50(65)59(14)48(34(5)6)54(69)62-30-22-25-42(62)56(71)75-40(19-2)23-20-26-44(63)38(10)55(70)74-39(11)36(8)27-28-37(9)45(73-17)31-46(64)58(49)13/h28,31,33-36,38-44,47-49,63H,18-27,29-30,32H2,1-17H3/b37-28+,45-31+/t35-,36-,38+,39+,40+,41-,42-,43-,44+,47-,48-,49?/m0/s1
VXNKUFHPWIHJDR-DBQYUIAISA-N
CSID:26637353, http://www.chemspider.com/Chemical-Structure.26637353.html (accessed 18:42, Jul 5, 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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