Protostemotinine

C23H29NO6CAS 169534-85-4415.49 g/mol

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AlkeneEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C23H29NO6
Molar mass
415.49 g/mol
Exact mass
415.1995 Da
logP
2.44Crippen estimate
Polar surface area
82.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
2
Stereocentres
S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
169534-85-4
SMILES
C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@]34N2CCCCC3=C(C(=O)[C@@]45C(=C(C(=O)O5)C)OC)C
InChIKey
SKYPPFSYUDCEQR-NMXNWEJOSA-N
InChI
InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22-,23+/m0/s1

Weigh it out

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

Work with Protostemotinine

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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