Formula |
C28H44O3 |
IUPAC Name |
(1s,2r,5r,6r,9r,10r,13s,15s)-5-[(2r,3e,5r)-5,6-dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0 1,9 .0 2,6 .0 10,15 ]nonadec-18-en-13-ol |
Molecular Mass |
428.647 g·mol−1 |
Heat of Formation |
-446.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.36 ± 1.08 D |
Volume |
564.96 Å 3 |
Surface Area |
434.37 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
0.67 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5.alpha.,8.alpha.-ergosta-6,22-dien-3.beta.-ol, 5,8-epidioxy-
- ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3.beta.,5.alpha.,8.alpha.,22e)-
- ergosterol 5.alpha.,8.alpha.-epidioxide
- ergosterol endoperoxide
- ergosterol peroxide
- ergosterol-5,8-peroxide
- peroxyergosterol
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CAS Number(s) |
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InChIKey |
VXOZCESVZIRHCJ-KGHQQZOUSA-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
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