1Identification
【Name】
VITAMIN K2(35)
【CAS】
【MDL】
MFCD06200757
【English Synonyms】
(ALL-E)-2-(3,7,11,15,19,23,27-HEPTAMETHYL-2,6,10,14,18,22,26-OCTACOSAHEPTAENYL)-3-METHYL-1,4-NAPHTHALENEDIONE
【Formula】
C46 H64 O2
【MolWeight】
649.01
【Inchi】
InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
【InChIKey】
InChIKey=RAKQPZMEYJZGPI-LJWNYQGCSA-N
【SMILES】
CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:18.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
VITAMIN K2(35).cml