Galphimin B

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Properties Simple | Detailed

Formula C30H44O7
IUPAC Name galphimin b
Molecular Mass 516.666 g·mol−1
Heat of Formation -1343.3 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 611.99 Å 3
Surface Area 425.52 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • chryseno(2,1-c)oxepin-13b(3h)-carboxylic acid, 5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydro-7,13a-dihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5as-(5aalpha(s*),7alpha,7aalpha,7bbeta,9abeta,13abeta,13balpha,15abeta,15balpha))-
  • d:a-friedo-a-homo-23,24,30-trinor-4-oxaoleana-1,20-dien-27-oic acid, 7,18-dihydroxy-5-(1-hydroxyethyl)-3-oxo-, methyl ester, (5alpha(r),7alpha)-
  • galphimine b
  • methyl (5as-(5aalpha(s*),7alpha,7aalpha,7bbeta,9abeta,13abeta,13balpha,15abeta,15balpha))-5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydro-7,13a-dihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxochryseno(2,1-c)oxepin-13b(3h)-carboxylate
  • methyl 5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydro-7,13a-dihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxochryseno(2,1-c)oxepin-13b(3h)-carboxylate (5as-(5aalpha(s*),7alpha,7aalpha,7bbeta,9abeta,13abeta,13balpha,15abeta,15balpha))-
CAS Number(s)
  • 149199-48-4
InChIKey MYRCCYOWAVWIKR-NHBPQBDCSA-N
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