72963-77-0
1-DEOXYFORSKOLIN
Name
1-DEOXYFORSKOLIN
Formula
C22 H34 O6
MolWeight
394.505
1Identification
【Name】
1-DEOXYFORSKOLIN
【CAS】
【MDL】
MFCD09763710
【English Synonyms】
【Formula】
C22 H34 O6
【MolWeight】
394.505
【Inchi】
InChI=1S/C22H34O6/c1-8-19(5)12-14(24)22(26)20(6)11-9-10-18(3,4)16(20)15(25)17(27-13(2)23)21(22,7)28-19/h8,15-17,25-26H,1,9-12H2,2-7H3/t15-,16-,17-,19-,20-,21+,22-/m0/s1
【InChIKey】
InChIKey=PXYAFNGUEZPJBI-OAUGPMCWSA-N
【SMILES】
CC(=O)O[C@H]1[C@H]([C@H]2C(CCC[C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
1-DEOXYFORSKOLIN.cml
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