Try beta.chemspider
- Double-bond stereo
- 9 of 9 defined stereocentres
- Non-standard isotope
(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-[(E)-{[4-(~2~H_9_)Cyclopentyl-1-piperazinyl]imino}methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa- 24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl acetate
[2H]C1(N2CCN(CC2)/N=C/C2=C3NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](C=CO[C@@]4(C)OC5=C(C4=O)C(C(=C3O)C(O)=C5C)=C2O)OC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H] |c:17,19,39|
InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12-,22-17-,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1/i10D2,11D2,15D2,16D2,31D
WDZCUPBHRAEYDL-MQQPUAPPSA-N
CSID:81422608, http://www.chemspider.com/Chemical-Structure.81422608.html (accessed 20:09, Apr 30, 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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