chempirical

Leptomycin

C33H48O6CAS 87081-35-4540.74 g/mol

Open in Covalent MOL file
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AlcoholAlkeneCarboxylic acidEsterKetoneLactone

Properties

Molecular formula
C33H48O6
Molar mass
540.74 g/mol
Exact mass
540.3451 Da
logP
6.78Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
15
Stereocentres
R, R, S, R, S, S, Sin SMILES atom order
Double bonds
Z, E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
87081-35-4
SMILES
CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C
InChIKey
YACHGFWEQXFSBS-XYERBDPFSA-N
InChI
InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2,10,12,16,18-Nonadecapentaenoic acid, 19-[(2S,3S)-3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-, (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-
  • 2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-
  • (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-2,10,12,16,18-nonadecapentaenoic acid
  • Leptomycin B
  • Elactocin
  • PD 114720
  • Antibiotic CL 1957A
  • NSC 364372
  • CI 940
  • CL 1957A
  • Antibiotic CI 940
  • Mantuamycin

Work with Leptomycin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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