Formula |
C32H43N5O5 |
IUPAC Name |
(5'alpha,10alpha)-5'-[(2r)-2-butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman |
Molecular Mass |
577.714 g·mol−1 |
Heat of Formation |
-839.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.80 ± 1.08 D |
Volume |
700.9 Å 3 |
Surface Area |
527.62 Å 2 |
HOMO Energy |
-8.36 ± 0.55 eV |
LUMO Energy |
3.02 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 9,10alpha-dihydro-13'-epi-beta-ergocryptine
- dcn 203-922
- epicriptina [spanish]
- epicriptine
- epicriptinum [latin]
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CAS Number(s) |
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InChIKey |
SBFXHXZNBNFPHV-PXXBSISHSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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