Try beta.chemspider
- Double-bond stereo
- 15 of 17 defined stereocentres
CC[C@H](C)[C@H]1/C(=N\[C@H](/C(=N/C(=C)/C(=N/[C@H](/C(=N\C23CCC(=NC2c4csc(n4)[C@H]([C@H](OC(=O)c5cc(c6c(n5)[C@H]([C@H](N1)C=C6)O)[C@H](C)O)C)N=C(c7csc(n7)[C@H](/N=C(/[C@H]8CSC(=N8)/C(=C/C)/N=C(\[C@@H](/N=C(/c9csc3n9)\O)[C@@H](C)O)/O)\O)[C@@](C)([C@@H](C)O)O)O)c1nc(cs1)/C(=N/C(=C)/C(=N/C(=C)C(=N)O)/O)/O)/O)C)/O)/O)C)/O
InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26-,30-,31-,32-,33+,34+,35+,39+,45+,47-,48-,49-,51-,52?,53-,71+,72?/m0/s1
NSFFHOGKXHRQEW-ZPEKVYQQSA-N
CSID:21431228, http://www.chemspider.com/Chemical-Structure.21431228.html (accessed 23:37, Jun 29, 2024)
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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