(3R,4As,5R,6R,6Ar,10R,10As,10Br)-6,10,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxo-3-Vinyldodecahydro-1H-Benzo[F]Chromen-5-Yl (Propionyloxy)Carbamate

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Properties Simple | Detailed

Formula C22H33NO9
IUPAC Name [[(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl]oxycarbonylamino] formate
Molecular Mass 455.499 g·mol−1
Heat of Formation -1572.0 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 563.19 Å 3
Surface Area 429.62 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 7-desacetyl-7-(o-propionyl)hydroxyaminocarbonylforskolin
  • [[(3r,4as,5r,6r,6ar,10r,10as,10br)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl]oxycarbonylamino] propanoate
  • [[(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl]oxycarbonylamino] propanoate
  • carbamic acid, (1-oxopropoxy)-, 3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1h-naphtho(2,1-b)pyran-5-yl ester, (3r-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-
  • p87 7692
  • p87-7692
  • propanoic acid [[[(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl]oxy-oxomethyl]amino] ester
  • propionic acid [[(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl]oxycarbonylamino] ester
CAS Number(s)
  • 133632-84-5
InChIKey ZLVWTKXBTHHSEM-ZPBIRCJDSA-N
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