isocryptoxanthin

Chemical Formula:

C₄₀H₅₆O

Molecular Weight:

552.882 Daltons

Monoisotopic Mass:

552.4331164197 Daltons

SMILES:

CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CCCC2(C)C)C)

InChI:

1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+

InChIKey:

JCRCKXUPYKELBT-QQGJMDNJSA-N

Synonyms

4-hydroxy-β,β-carotene
β,β-caroten-4-ol

Databases

MetaCyc: CPD-17650

ChEBI: 140677

PubChem (CID): 9959307

ChemSpider: 8134916

MetaNetX: MNXM148288