596799-30-3
CALYCIPHYLLINE A
Name
CALYCIPHYLLINE A
Formula
C23 H31 N O4
MolWeight
385.501
1Identification
【Name】
CALYCIPHYLLINE A
【CAS】
【MDL】
MFCD20260881
【English Synonyms】
【Formula】
C23 H31 N O4
【MolWeight】
385.501
【Inchi】
InChI=1S/C23H31NO4/c1-12-10-24(27)11-14-6-4-13-5-7-15-17(21(26)28-3)9-23(19(13)15)20(25)16(12)8-18(24)22(14,23)2/h12,14-18H,4-11H2,1-3H3/t12-,14-,15-,16-,17-,18-,22-,23+,24?/m1/s1
【InChIKey】
InChIKey=DLTJWHRTAHFESH-IGJFRSLJSA-N
【SMILES】
C[C@@H]1C[N+]2(C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C[C@]56[C@]3([C@H]2C[C@H]1C6=O)C)C(=O)OC)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CALYCIPHYLLINE A.cml
Quick Release
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