| CAS Number | 34420-19-4 |
| Catalog Number | AG00BYG6(AGN-PC-0R9RCC) |
| Chemical Name | Lathyrol |
| IUPAC Name | (1R,3E,5S,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one |
| InChI | InChI=1S/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,13-,14-,15-,16-,17-,20+/m0/s1 |
| InChI Key | SDBITTRHSROXCY-XESRLCDHSA-N |
| MDL Number | MFCD09832867 |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.4498 |
| SMILES | O[C@]12C[C@H](C)[C@H](O)[C@]1([H])[C@H](C(CC[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O)=C)O |
| Synonyms | Lathyrol,
34420-19-4,
MFCD09832867,
ZINC71789507,
Y0119,
Q-100418,
C20H30O4,
ACN-047392,
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| Complexity | 605 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 334.214g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.456g/mol |
| Monoisotopic Mass | 334.214g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number