(2S,4Ar,6As,6Br,8Ar,10S,12As,12Br)-10-Hydroxy-2,6A,6B,9,9,12A-Hexamethyl-13-Oxo-2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13-Octadecahydro-2-Picenecarboxylic Acid
Properties
Property | Value |
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Formula | C29H42O4 |
IUPAC Name | (2s,4ar,6ar,6as,6br,8ar,10s,12as)-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-13-oxo-3,4,4a,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylic acid |
Molecular Mass | 454.641 g·mol−1 |
Heat of Formation | -890.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.85 ± 1.08 D |
Volume | 564.81 Å 3 |
Surface Area | 420.3 Å 2 |
HOMO Energy | -9.55 ± 0.55 eV |
LUMO Energy | -0.44 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | GTEBNRQRSIJPHQ-XFFWNHRZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |