6-Methoxyspirotryprostatin B

Catalog Number	ACM1031727282
CAS Number	1031727-28-2
IUPAC Name	(5S,6S,9S)-6'-Methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodec-3-ene-5,3'-1H-indole]-2,2',8-trione
Molecular Weight	393.44
Molecular Formula	C22H23N3O4
Canonical SMILES	CC(=CC1C2(C=C3N1C(=O)C4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C
InChI	InChI=1S/C22H23N3O4/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/h6-7,9-11,16,18H,4-5,8H2,1-3H3,(H,23,28)/t16-,18-,22-/m0/s1
InChI Key	UHQKDPCPFNXIDU-ZJBJCVSYSA-N
Purity	97%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	845
Exact Mass	393.16885622
Heavy Atom Count	29
Isomeric SMILES	CC(=C[C@H]1[C@]2(C=C3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C
Monoisotopic Mass	393.16885622
Topological Polar Surface Area	79Ų

Custom Q&A

What is the product name of the compound with the CAS number 1031727-28-2?

The product name is 6-Methoxyspirotryprostatin B.

What are some synonyms for 6-Methoxyspirotryprostatin B?

Some synonyms include spirotryprostatin B and spirotryprostatin G.

What is the chemical formula of 6-Methoxyspirotryprostatin B?

The chemical formula is C22H23N3O4.

What is the molecular weight of 6-Methoxyspirotryprostatin B?

The molecular weight is 393.44 g/mol.

What is the predicted boiling point of 6-Methoxyspirotryprostatin B?

The predicted boiling point is 720.8±60.0 °C.

What is the predicted density of 6-Methoxyspirotryprostatin B?

The predicted density is 1.40±0.1 g/cm3.

What is the predicted pKa value of 6-Methoxyspirotryprostatin B?

The predicted pKa value is 12.33±0.40.

What is the name of the compound that has the MF C22H23N3O4?

The compound is 6-Methoxyspirotryprostatin B.

What is the structure of 6-Methoxyspirotryprostatin B?

The structure is Spiro[5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2(3H),3'-[3H]indole]-2',5,10(1'H)-trione, 5a,6,7,8-tetrahydro-6'-methoxy-3-(2-methyl-1-propen-1-yl)-, (2S,3S,5aS).

What is the CAS number for 6-Methoxyspirotryprostatin B?

The CAS number is 1031727-28-2.

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