Spirotryprostatin A

Catalog Number	ACM182234259
CAS Number	182234-25-9
IUPAC Name	(3S,5S,6S,9S)-6'-Methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
Molecular Weight	395.45
Molecular Formula	C22H25N3O4
Canonical SMILES	CC(=CC1C2(CC3N1C(=O)C4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C
InChI	InChI=1S/C22H25N3O4/c1-12(2)9-18-22(14-7-6-13(29-3)10-15(14)23-21(22)28)11-17-19(26)24-8-4-5-16(24)20(27)25(17)18/h6-7,9-10,16-18H,4-5,8,11H2,1-3H3,(H,23,28)/t16-,17-,18-,22-/m0/s1
InChI Key	MQJKGSIAJNXSCM-ORGXJRBJSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	791
Exact Mass	395.18450629
Heavy Atom Count	29
Isomeric SMILES	CC(=C[C@H]1[C@]2(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C
Monoisotopic Mass	395.18450629
Topological Polar Surface Area	79Ų

Custom Q&A

What is the chemical name of Spirotryprostatin A?

The chemical name of Spirotryprostatin A is Spiro[5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2(3H),3'-[3H]indole]-2',5,10(1'H)-trione, 1,5a,6,7,8,10a-hexahydro-6'-methoxy-3-(2-methyl-1-propen-1-yl)-, (2S,3S,5aS,10aS)-

What is the CAS number of Spirotryprostatin A?

The CAS number of Spirotryprostatin A is 182234-25-9

What is the molecular formula of Spirotryprostatin A?

The molecular formula of Spirotryprostatin A is C22H25N3O4

What is the molecular weight of Spirotryprostatin A?

The molecular weight of Spirotryprostatin A is 395.45

What is the predicted boiling point of Spirotryprostatin A?

The predicted boiling point of Spirotryprostatin A is 658.9±55.0 °C

What is the predicted density of Spirotryprostatin A?

The predicted density of Spirotryprostatin A is 1.37±0.1 g/cm3

What is the predicted pka value of Spirotryprostatin A?

The predicted pka value of Spirotryprostatin A is 13.05±0.40

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