新穿心莲内酯

Description

neoandrographolide · CAS 27215-14-1 · C26H40O8. UNII XBY0Z806J2. LogP: 0.44.

Identification

CAS Registry Number	27215-14-1
PubChem CID	9848024
Molecular formula	C26H40O8
IUPAC name	4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
UNII (FDA)	XBY0Z806J2

Computed Descriptors

Molecular Weight	480.6
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	480.27231823
Monoisotopic Mass	480.27231823
Topological Polar Surface Area	126
Heavy Atom Count	34
Formal Charge	0

Physical & Chemical Properties

LogP	0.44

Synonyms

Neoandrographolide; 27215-14-1; Neoandrographiside; (-)-neoandrographolide; XBY0Z806J2; DTXSID80904895; RefChem:165088; DTXCID001334004; MFCD07779130; UNII-XBY0Z806J2; Neoandrographolide (Standard); CHEMBL480853; MEGxp0_000981; orb1222432; orb1303611; orb3140771

Frequently Asked Questions

What are the CAS number and molecular formula of neoandrographolide?

CAS 27215-14-1; molecular formula C26H40O8; molecular weight — g/mol.

What other names is neoandrographolide known by?

Neoandrographolide, 27215-14-1, Neoandrographiside, (-)-neoandrographolide, XBY0Z806J2, DTXSID80904895.

What are the key physical properties of neoandrographolide?

LogP: 0.44.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.