Methyl 3-[(1R,3As,3Bs,6S,6Ar,7As,9Ar)-3A,9A-Dimethyl-1-{(1S)-1-[(2R)-5-Methyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]Ethyl}-6-Vinyldecahydro-1H-Cyclopenta[A]Cyclopropa[E]Naphthalen-6A(7H)-Yl]Propanoate

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Properties Simple | Detailed

Formula C29H28O4
IUPAC Name 3-[(3r)-6,7-dimethylene-8-penta-1,3-diynyl-spiro[2.5]oct-4-en-2-yl]prop-1-yn-1-ol; formaldehyde; (3r)-2-prop-1-ynyl-4-oxaspiro[2.5]oct-6-en-5-one
Molecular Mass 440.530 g·mol−1
Heat of Formation 4168.2 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 505.34 Å 3
Surface Area 448.59 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
InChIKey QNZKHYAIUBIBMQ-BDJJLNNZSA-N
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