(1R,3S,3Ar,5Ar,7Ar,9S,11As,12R,13Ar,13Br)-1,9,12-Trihydroxy-3A-(Hydroxymethyl)-3-Isopropyl-5A,8,8,11A,13A-Pentamethyl-1,2,3,3A,4,5,5A,7,7A,8,9,10,11,11A,12,13,13A,13B-Octadecahydro-6H-Cyclopenta[A]Chrysen-6-One
Properties
Property | Value |
---|---|
Formula | C30H48O5 |
IUPAC Name | (1r,3s,3ar,5ar,7ar,9s,11as,12r,13ar,13br)-1,9,12-trihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-2,3,4,5,7,7a,9,10,11,12,13,13b-dodecahydro-1h-cyclopenta[a]chrysen-6-one |
Molecular Mass | 488.699 g·mol−1 |
Heat of Formation | -1155.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.55 ± 1.08 D |
Volume | 609.61 Å 3 |
Surface Area | 436.33 Å 2 |
HOMO Energy | -9.55 ± 0.55 eV |
LUMO Energy | 2.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | HJCQEFXCUBGQOE-RWPYJWJNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |