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1063-77-0
NOMILIN
Name
NOMILIN
Formula
C28 H34 O9
MolWeight
514.568
1Identification
【Name】
NOMILIN
【CAS】
【MDL】
MFCD00075979
【English Synonyms】
【Formula】
C28 H34 O9
【MolWeight】
514.568
【Inchi】
InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19?,21+,22-,25+,26-,27+,28-/m1/s1
【InChIKey】
InChIKey=KPDOJFFZKAUIOE-BIYZDVJRSA-N
【SMILES】
CC(=O)OC1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
NOMILIN.cml
Quick Release
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Country/Region:China
Business Type:Lab/Research institutions
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