betulinic aldehyde

Chemical Formula:

C₃₀H₄₈O₂

Molecular Weight:

440.71 Daltons

Monoisotopic Mass:

440.365430785 Daltons

SMILES:

C=C(C)[C@@H]5(CC[C@]4(C=O)(CC[C@]3(C)([C@H](CC[C@@H]2([C@@]1([C@H](C(C)(C)[C@H](CC1)O)CC[C@](C)23)(C)))[C@@H]45)))

InChI:

1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1

InChIKey:

FELCJAPFJOPHSD-ROUWMTJPSA-N

Synonyms

betulinal
betunal
betulin aldehyde

Databases

MetaCyc: CPD-14492

PubChem (CID): 99615

ChemSpider: 89999

MetaNetX: MNXM97456