(2R,4As,4Bs,6As,7S,8R,10As,10Br,12Ar)-7-Chloro-4A,6A,8-Trimethyloctadecahydro-2-Chrysenol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H35ClO
IUPAC Name (2r,4as,4bs,6as,7s,8r,10as,10br,12ar)-7-chloro-4a,6a,8-trimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
Molecular Mass 338.955 g·mol−1
Heat of Formation -563.8 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 431.13 Å 3
Surface Area 334.27 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,4bs,6as,7s,8r,10as,10br,12ar)-7-chloro-4a,6a,8-trimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
  • 17-mchao
  • 17-methyl-17a-chloro-d-homoandrostan-3-ol
  • 17alpha-methyl-17abeta-chloro-d-homo-5beta-androstan-3alpha-ol
  • d-homoandrostan-3-ol, 17a-chloro-17-methyl-, (3alpha,5beta,17alpha,17abeta)-
CAS Number(s)
  • 76571-91-0
InChIKey UMWMKSFDTADRMB-YAWPOEEYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl