Protostemonine

Catalog Number	ACM27495405
CAS Number	27495-40-5
Structure
Synonyms	(3S,5S)-5-[(1S,2Z,3aβ,10aα,10bα)-Decahydro-2-(2,5-dihydro-3-methoxy-4-methyl-5-oxofuran-2-ylidene)-1α-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8α-yl]-4,5-dihydro-3-methylfuran-2(3H)-one
Molecular Weight	417.5
InChI	InChI=1S/C23H31NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h11-12,14-18H,5-10H2,1-4H3/b21-20-/t11-,12-,14-,15-,16+,17-,18+/m0/s1
InChI Key	JDGNFRYDHRYXNL-ROHJGGRPSA-N
Purity	98%+
Complexity	832
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Exact Mass	417.21513771
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCC[C@@H]4[C@@H]3[C@@H](/C(=C/5\C(=C(C(=O)O5)C)OC)/O4)C
Monoisotopic Mass	417.21513771
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	74.3 Ų

Custom Q&A

What is the chemical name of Protostemonine?

(3S,5S)-5-[(1S,2Z,3aβ,10aα,10bα)-Decahydro-2-(2,5-dihydro-3-methoxy-4-methyl-5-oxofuran-2-ylidene)-1α-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8α-yl]-4,5-dihydro-3-methylfuran-2(3H)-one

What is the molecular formula of Protostemonine?

C23H31NO6

What is the molecular weight of Protostemonine?

417.5

What is the melting point of Protostemonine?

172℃

What is the boiling point of Protostemonine?

594.1±50.0 °C (Predicted)

What is the density of Protostemonine?

1.27

What is the pka of Protostemonine?

8.77±0.60 (Predicted)

What is the usage of Protostemonine?

Protostemonine is an alkaloid which provided protective effects in LPS/GalN-induced acute liver failure.

What is the role of Protostemonine according to ChEBI?

Protostemonine is an alkaloid with a role as a metabolite.

What is the reference for the structure of Protostemonine?

Irie et al., Chemical Pharmaceutical Bulletin, 21, 451 (1973)

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