4-Bromobenzyl (4As,6Br,8Ar,10S,12Ar,12Br,14As,14Bs)-10-Acetoxy-2,2,6B,9,9,12A,14A-Heptamethyl-1,3,4,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-Octadecahydro-4A(2H)-Picenecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C39H55BrO4
IUPAC Name (4-bromobenzene-2,3,5,6-tetraid-1-yl)methyl (1s,2s,4ar,6as,10as,10bs,12ar)-9-ethynyl-1,4a,10b-trimethyl-2-(1-methylvinyl)-1-(3-oxopropyl)-3,4,6,7,8,10,10a,11,12,12a-decahydro-2h-chrysen-9-ide-6a-carboxylate; ethanolate
Molecular Mass 667.756 g·mol−1
Heat of Formation -951.9 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 779.86 Å 3
Surface Area 525.3 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • (4-bromophenyl)methyl (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate
  • (4-bromophenyl)methyl (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate
  • (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid (4-bromobenzyl) ester
  • (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid (4-bromophenyl)methyl ester
  • 4-bromobenzyl 3-acetylmaprounate
  • p-bbam
CAS Number(s)
  • 123887-66-1
InChIKey YXYOERKDOLFSLL-FQMFXQSHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br O