432-68-8
ECHINENONE
Name
ECHINENONE
Formula
C40 H54 O
MolWeight
550.866
1Identification
【Name】
ECHINENONE
【CAS】
【MDL】
MFCD06656303
【English Synonyms】
【Formula】
C40 H54 O
【MolWeight】
550.866
【Inchi】
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
【InChIKey】
InChIKey=QXNWZXMBUKUYMD-QQGJMDNJSA-N
【SMILES】
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:15.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ECHINENONE.cml
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