Gelsemicine

Catalog Number	ACM6887281
CAS Number	6887-28-1
IUPAC Name	(1R,2S,4S,6R,7R,8S)-6-Ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
Molecular Weight	358.43
Molecular Formula	C20H26N2O4
Canonical SMILES	CCC1C2CC3C4(CC(C2CO3)N1)C5=C(C=C(C=C5)OC)N(C4=O)OC
InChI	InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1
InChI Key	RIHQHYIWKHVLRH-XKTBTPLDSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	586
Exact Mass	358.18925731
Heavy Atom Count	26
Isomeric SMILES	CC[C@@H]1[C@@H]2C[C@@H]3[C@]4(C[C@@H]([C@H]2CO3)N1)C5=C(C=C(C=C5)OC)N(C4=O)OC
Monoisotopic Mass	358.18925731
Topological Polar Surface Area	60Ų

Custom Q&A

What is the chemical name of GELSEMICINE?

The chemical name of GELSEMICINE is (2'R,3S)-2'-Ethyl-2',3',3'aβ,4',8',8'aβ-hexahydro-1,6-dimethoxyspiro[3H-indole-3,7'(6'H)-[3β,6β]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one.

What are some synonyms for GELSEMICINE?

Some synonyms for GELSEMICINE are 11-Methoxygelsedine and Spiro[3H-indole-3,7'(6'H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one.

What is the CAS number for GELSEMICINE?

The CAS number for GELSEMICINE is 6887-28-1.

What is the molecular formula of GELSEMICINE?

The molecular formula of GELSEMICINE is C20H26N2O4.

What is the molecular weight of GELSEMICINE?

The molecular weight of GELSEMICINE is 358.43.

At what temperature does GELSEMICINE melt?

GELSEMICINE melts at 171 °C in acetone.

What is the predicted boiling point of GELSEMICINE?

The predicted boiling point of GELSEMICINE is 504.0±60.0 °C.

What is the predicted density of GELSEMICINE?

The predicted density of GELSEMICINE is 1.29±0.1 g/cm3.

What is the predicted pka value of GELSEMICINE?

The predicted pka value of GELSEMICINE is 10.41±0.40.

What is the definition of GELSEMICINE according to ChEBI?

Gelsemicine is defined as an indole alkaloid.

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