Formula |
C24H34O9 |
IUPAC Name |
[(1s,2r,4s,7r,9r,10r,11s,12s)-11-acetoxy-2-(acetoxymethyl)-10-hydroxy-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate |
Molecular Mass |
466.521 g·mol−1 |
Heat of Formation |
-1610.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.60 ± 1.08 D |
Volume |
550.8 Å 3 |
Surface Area |
405.2 Å 2 |
HOMO Energy |
-10.04 ± 0.55 eV |
LUMO Energy |
3.24 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
- 4beta,15-diacetoxy-3alpha-hydroxy-8alpha-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene
- mycotoxin t 2
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InChIKey |
BXFOFFBJRFZBQZ-QYWOHJEZSA-N |
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Elements |
H
C
O
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