73870-35-6
VILMORRIANINE C
Name
VILMORRIANINE C
Formula
C35 H49 N O9
MolWeight
627.77
1Identification
【Name】
VILMORRIANINE C
【CAS】
【MDL】
MFCD02259453
【English Synonyms】
【Formula】
C35 H49 N O9
【MolWeight】
627.77
【Inchi】
InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31?,33+,34-,35+/m1/s1
【InChIKey】
InChIKey=LYUPEIXJYAJCHL-RMQZIYKOSA-N
【SMILES】
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)c7ccc(cc7)OC)OC)OC(=O)C)OC)OC)COC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
VILMORRIANINE C.cml
Quick Release
(1-[(PYRIMIDIN-2-YLMETHYL)AMINO]CYCLOPENTYL)METHANOL
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