3-DEOXY-8-DEACETYLYUNACONINTINE

CAS No.
128717-96-4
CCD No.
CCD01390639
Formula
C33 H47 N O9
MolWeight
601.732

Basic Information

Product Name: 3-DEOXY-8-DEACETYLYUNACONINTINE
CAS: 128717-96-4
English Synonyms: 3-DEOXY-8-DEACETYLYUNACONINTINE
MDL Number.: MFCD11975462
H bond acceptor: 10
H bond donor: 2
Smile: CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)c7ccc(cc7)OC)O)OC)O)OC)OC)COC
InChi: InChI=1S/C33H47NO9/c1-7-34-16-30(17-38-2)13-12-21(40-4)33-20-14-31(36)22(41-5)15-32(37,24(27(33)34)25(42-6)26(30)33)23(20)28(31)43-29(35)18-8-10-19(39-3)11-9-18/h8-11,20-28,36-37H,7,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-,30+,31+,32-,33?/m1/s1
InChiKey: InChIKey=BDDLZZSRQWCCDP-JNFDTSIHSA-N

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