Vitamin D3 Butyrate

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Properties Simple | Detailed

Formula C30H22O2
IUPAC Name 4-methylene-3-[2-[(1e,6z)-6-methyl-7-prop-1-ynyl-cycloundeca-1,6-dien-4,8,10-triyn-1-yl]ethynyl]cyclohexa-2,5-dien-1-one; prop-1-yne; prop-1-yn-1-ol
Molecular Mass 414.494 g·mol−1
Heat of Formation -620.0 ± 16.7 kJ·mol−1
Dipole Moment 1.00 ± 1.08 D
Volume 635.21 Å 3
Surface Area 531.4 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
InChIKey QUUDUVNKJWQDFG-BXWGOXEHSA-N
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Elements H C O