马达西亚酸

Description

madasiatic acid · CAS 18449-41-7 · C30H48O6. UNII M7O1N24J82.

Identification

CAS Registry Number	18449-41-7
PubChem CID	73412
Molecular formula	C30H48O6
IUPAC name	(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
UNII (FDA)	M7O1N24J82

Computed Descriptors

Molecular Weight	504.7
XLogP3	4.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	504.34508925
Monoisotopic Mass	504.34508925
Topological Polar Surface Area	118
Heavy Atom Count	36
Formal Charge	0

Physical description & handling notes

• 234.8 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Synonyms

Madecassic acid; Brahmic acid; 18449-41-7; ORISTRACT MDA; CHEBI:73058; DTXSID70939838; M7O1N24J82; Urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2alpha,3beta,4alpha,6beta)-; 2alpha,3beta,6beta,23-Tetrahydroxyurs-12-en-28-oic Acid; (2alpha,3beta,6beta)-2,3,6,23-tetrahydroxyurs-12-en-28-oic acid; NSC-88135; RefChem:41931; Callicos CellAwake Mask madecassol; DTXCID701775346; 606-031-1; NSC88135

Frequently Asked Questions

What are the CAS number and molecular formula of madasiatic acid?

CAS 18449-41-7; molecular formula C30H48O6; molecular weight — g/mol.

What other names is madasiatic acid known by?

Madecassic acid, Brahmic acid, 18449-41-7, ORISTRACT MDA, CHEBI:73058, DTXSID70939838.

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.