62640-05-5
AJUGARIN I
Name
AJUGARIN I
Formula
C23 H32 O7
MolWeight
420.499
1Identification
【Name】
AJUGARIN I
【CAS】
【MDL】
MFCD00210472
【English Synonyms】
【Formula】
C23 H32 O7
【MolWeight】
420.499
【Inchi】
InChI=1S/C23H32O7/c1-14-10-19(29-15(2)24)23(30-16(3)25)18(6-5-8-22(23)13-28-22)21(14,4)9-7-17-11-20(26)27-12-17/h11,14,18-19H,5-10,12-13H2,1-4H3/t14-,18-,19+,21+,22+,23-/m0/s1
【InChIKey】
InChIKey=WCFFWCZNBGXTAH-DCZKUXAXSA-N
【SMILES】
C[C@H]1C[C@H]([C@]2([C@H]([C@]1(C)CCC3=CC(=O)OC3)CCC[C@@]24CO4)OC(=O)C)OC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AJUGARIN I.cml
Quick Release
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Catalog No:3B2-6153 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.3bsc.com
Shanghai FWD Chemicals Limited
Catalog No:L2222
Country/Region:China
Business Type:Trading Company
http://www.fwdchem.com
Youchemicals Limited
Catalog No:Y236219
Country/Region:China
Business Type:Trading Company
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