(1α,3α,6α,14α,16Beta)-8-Acetoxy-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate
Properties
Property | Value |
---|---|
Formula | C33H45NO11 |
IUPAC Name | (1alpha,3alpha,6alpha,14alpha,16beta)-8-acetoxy-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate |
Molecular Mass | 631.710 g·mol−1 |
Heat of Formation | -1869.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.32 ± 1.08 D |
Volume | 714.3 Å 3 |
Surface Area | 491.57 Å 2 |
HOMO Energy | -8.18 ± 0.55 eV |
LUMO Energy | 2.33 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | XUHJBXVYNBQQBD-GQPWXMLZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |