dihydrochelirubine

Chemical Formula:

C₂₁H₁₇NO₅

Molecular Weight:

363.369 Daltons

Monoisotopic Mass:

363.1106726614 Daltons

SMILES:

C2(C5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))

InChI:

1S/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3

InChIKey:

JPXUJRDPZQUCNV-UHFFFAOYSA-N

Synonyms

13, 14-dihydro-5-methoxy-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine

Databases

MetaCyc: DIHYDROCHELIRUBINE

MetaboLights: MTBLC17789

ChemSpider: 389488

ChEBI: 17789

PubChem (CID): 440589

KEGG: C05194

CAS: 28342-26-9

RefMet: Dihydrochelirubine

Seed: cpd03089

MetaNetX: MNXM1555