(3Ar,5Ar,6As,6Br,10As,12Ar,12Bs,12Cs)-3-Acetyl-6B-(Hydroxymethyl)-10,10,12A,12C-Tetramethyl-1,3A,5A,6,6A,6B,7,8,9,10,10A,11,12,12A,12B,12C-Hexadecahydro-4H-Chryseno[12,1-Bc]Furan-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H38O4
IUPAC Name (3ar,5ar,6as,6br,10as,12ar,12bs,12cs)-3-acetyl-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-4h-chryseno[12,1-bc]furan-4-one
Molecular Mass 414.578 g·mol−1
Heat of Formation -764.0 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 508.38 Å 3
Surface Area 377.6 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 22-hydroxy-24-methylsedn-16-en-24-one-12beta,25beta-olide
  • 3-acetyl-6b-hydroxymethyl-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-5-oxa-cyclopenta[hi]chrysen-4-one
  • 4h-chryseno[12,1-bc]furan-4-one, 3-acetyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl-, (3ar,5ar,6as,6br,10as,12ar,12bs,12cs)-
  • rel-(3ar,5ar,6as,6br,10as,12ar,12bs,12cs)-3-acetyl-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-4h-chryseno[12,1-bc]furan-4-one (non-prefer
InChIKey VDBPCCVBAJLGOR-JWZWEURHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O