101312-92-9
VALNEMULIN
Name
VALNEMULIN
Formula
C31 H52 N2 O5 S
MolWeight
564.827
1Identification
【Name】
VALNEMULIN
【CAS】
【MDL】
MFCD09832850
【English Synonyms】
【Formula】
C31 H52 N2 O5 S
【MolWeight】
564.827
【Inchi】
InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19?,20-,22+,24+,25-,26-,29+,30-,31-/m1/s1
【InChIKey】
InChIKey=LLYYNOVSVPBRGV-BILPJLMMSA-N
【SMILES】
CC1CC[C@]23CCC(=O)[C@@H]2[C@]1([C@H](C[C@]([C@@H]([C@H]3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)[C@H](C(C)C)N)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
VALNEMULIN.cml
Quick Release
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