1Identification
【Name】
SOLANESOL
【CAS】
【MDL】
MFCD00070279
【English Synonyms】
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-NONAMETHYLHEXATRIACONTA-2,6,10,14,18,22,26,30,34-NONAEN-1-OL
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-NONAMETHYLHEXATRIACONTA-2,6,10,14,18,22,26,30,34-NO
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAEN-1-OL
3,7,11,15,19,23,27,31,35-NONAMETHYLHEXATRIACONTA-2,6,10,14,18,22,26,30,34-NONAEN-1-OL
【Formula】
C45 H74 O
【MolWeight】
631.079
【Inchi】
InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
【InChIKey】
InChIKey=AFPLNGZPBSKHHQ-MEGGAXOGSA-N
【SMILES】
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:19.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
TCI (Shanghai) Development Co., Ltd. :
SOLANESOL
【WGK Germany】
3
4CML File
SOLANESOL.cml