(3R,4Ar,6Bs,8As,11R,12Ar,12Bs,14Bs)-3-Hydroxy-11-Hydroxymethyl-4,4,6B,8A,11,12B,14B-Heptamethyl-1,3,4,4A,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14B-Octadecahydro-2H-Picen-6-One
Properties
Property | Value |
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Formula | C30H48O3 |
IUPAC Name | (3r,4ar,6as,6bs,8as,11r,12ar,14bs)-3-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,7,8,9,10,12,12a,13,14-dodecahydro-1h-picen-6-one |
Molecular Mass | 456.700 g·mol−1 |
Heat of Formation | -806.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.42 ± 1.08 D |
Volume | 591.08 Å 3 |
Surface Area | 426.09 Å 2 |
HOMO Energy | -9.48 ± 0.55 eV |
LUMO Energy | 3.09 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | LGSJWAHGGJDXIU-YLUXGQHSSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |