(2S,3S,3As,5E,6As,7Ar,10S,10As,11As,12Z)-6-Formyl-10-Isopropyl-3,7A,12-Trimethyl-1,2,3,3A,4,6A,7,7A,8,9,10,10A,11,11A-Tetradecahydrocyclopenta[4,5]Cycloocta[1,2-F]Inden-2-Yl β-D-Xylopyranoside

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Formula C30H46O6
IUPAC Name (2s,3s,3as,5e,6as,7ar,10s,10as,11as,12z)-6-formyl-10-isopropyl-3,7a,12-trimethyl-1,2,3,3a,4,6a,7,7a,8,9,10,10a,11,11a-tetradecahydrocyclopenta[4,5]cycloocta[1,2-f]inden-2-yl β-d-xylopyranoside
Molecular Mass 502.683 g·mol−1
Heat of Formation -1207.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 643.18 Å 3
Surface Area 492.96 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • cyclopenta(4,5)cyclooct(1,2-f)indene-6-carboxaldehyde, 1,2,3,3a,4,6a,7,7a,8,9,10,10a,11,11a-tetradecahydro-10-(1-methylethyl)-3,7a,12-trimethyl-2-(beta-d-xylopyranosyloxy)-, (2s-(2-alpha,3-beta,3a-beta,6a-alpha,7a-alpha,10-beta,10a-beta,11a-beta))-
CAS Number(s)
  • 122535-46-0
InChIKey PGDQFMJGCJTDBU-XKRAMSRFSA-N
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