(2Z)-4-[(1S,2S,8R,17S,19R)-12,16-Dihydroxy-8,21,21-Trimethyl-5-(3-Methyl-2-Buten-1-Yl)-8-(4-Methyl-3-Penten-1-Yl)-14,18-Dioxo-3,7,20-Trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]Docosa-4(13),5,9,11-Tetraen-19-Yl]-2-Methyl-2-Butenoic Acid

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Formula C38H46O9
IUPAC Name (2z)-4-[(1s,2s,8r,15r,16s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0 2,15 .0 2,19 .0 4,13 .0 6,11 ]docosa-4(13),5,9,11-tetraen-19-yl]-2-methyl-2-butenoic acid
Molecular Mass 646.766 g·mol−1
Heat of Formation -1646.2 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 768.06 Å 3
Surface Area 499.86 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey LJUARHDVFLLQMF-CBLNDHTRSA-N
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