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Entry
CA00250                                                            

Classification
Carotenoid Name
2-Hydroxy-1',2'-dihydrotorulene 1',2'-oxide
IUPAC name 1',2'-Epoxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-2-ol
Formula
C40H54O2
Molecular Weight 
566.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
InChI
InChI=1S/C40H54O2/c1-30(18-13-20-32(3)21-15-23-34(5)25-29-38-40(9,10)42-38)16-11-12-17-31(2)19-14-22-33(4)24-27-36-35(6)26-28-37(41)39(36,7)8/h11-25,27,29,37-38,41H,26,28H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,27-24+,29-25+,30-16+,31-17+,32-20+,33-22+,34-23+
InChIKey
OMKOWCZOYTTYAI-OWPBGTIHSA-N
Canonical SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCC(C1(C)C)O)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/C1OC1(C)C)\C)\C
XLogP
10.974
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.323
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
32.760 Å2
Source organisms
Rhodotorula aurantiaca  - Fungi: psychrophilic antarctic yeast
References

CAS
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