Formula |
C30H39N5O5 |
IUPAC Name |
(5'alpha,10alpha)-2'-ethyl-12'-hydroxy-5'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman |
Molecular Mass |
549.661 g·mol−1 |
Heat of Formation |
-791.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.32 ± 1.08 D |
Volume |
656.92 Å 3 |
Surface Area |
511.44 Å 2 |
HOMO Energy |
-8.37 ± 0.55 eV |
LUMO Energy |
3.01 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2'-ethyl-9,10-dihydro-12'-hydroxy-5'-(1-methylethyl)ergotaman-3',6',18-trione
- dihydroergonine
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CAS Number(s) |
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InChIKey |
QKMRPKVJXKAXHL-OLNIQZLRSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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