515-03-7
SCLAREOL
Name
SCLAREOL
Formula
C20 H36 O2
MolWeight
308.502
1Identification
【Name】
SCLAREOL
【CAS】
【MDL】
MFCD00869558
【English Synonyms】
【Formula】
C20 H36 O2
【MolWeight】
308.502
【Inchi】
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
【InChIKey】
InChIKey=XVULBTBTFGYVRC-HHUCQEJWSA-N
【SMILES】
CC1(CCC[C@]2([C@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【WGK Germany】
2
4CML File
SCLAREOL.cml
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