Hericenone G - CAS 141973-36-6

Catalog:	BB064407
Product Name:	Hericenone G
CAS:	141973-36-6
Synonyms:	[8- Formyl- 3, 4- dihydro- 5- methoxy- 2- methyl- 2- (4- methyl- 2- oxo- 3- pentenyl) - 2H- 1- benzopyran- 7- yl] methyl Ester Octadecanoic Acid

Technical Data

IUPAC Name:	[8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl octadecanoate
Description:	Hericenone G is used in tryptamine compositions for enhancing neurite outgrowth.
Molecular Weight:	598.85
Molecular Formula:	C37H58O6
Canonical SMILES:	CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC
InChI:	InChI=1S/C37H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h24-25,27H,6-23,26,28H2,1-5H3
InChI Key:	GGXBOOLRGQUWIV-UHFFFAOYSA-N
Melting Point:	56 - 58 °C
Solubility:	6.875e-009 mg/l at 25 °C (est)
Appearance:	Solid
References:	Stamets, P. E., U.S. Pat. Appl. Publ. (2021), US 20210069170 A1 20210311.

Complexity:	833
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	598.42333957
Formal Charge:	0
Heavy Atom Count:	43
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	598.42333957
Rotatable Bond Count:	24
Topological Polar Surface Area:	78.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	11.2