Ethyl (1S,3'S,5R,13R,17S)-10,17-Dihydroxy-4-Methylspiro[12-Oxa-4-Azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]Octadeca-7(18),8,10-Triene-14,2'-Oxirane]-3'-Carboxylate

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Formula C21H25NO6
IUPAC Name ethyl (2's,3s,4r,4as,7s,7ar,12bs)-4a,9-dihydroxy-3-methyl-spiro[2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7,3'-oxirane]-2'-carboxylate
Molecular Mass 387.426 g·mol−1
Heat of Formation -827.1 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 433.61 Å 3
Surface Area 336.11 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
InChIKey RUQQPVXMOKJQCG-KYSZGLPYSA-N
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