Formula |
C21H25ClO2 |
IUPAC Name |
(8r,9s,13s,14s,17s)-17-(2-chloroethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol |
Molecular Mass |
344.875 g·mol−1 |
Heat of Formation |
-151.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.43 ± 1.08 D |
Volume |
414.35 Å 3 |
Surface Area |
348.37 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
0.34 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (8r,9s,13s,14s,17s)-17-(2-chloroethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
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CAS Number(s) |
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InChIKey |
JABONLHKIKMUIS-CRSSMBPESA-N |
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Links |
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Downloads |
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Elements |
H
C
O
Cl
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