RRX

(3R)-beta,beta-caroten-3-ol


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Chemical Component Summary

Name(3R)-beta,beta-caroten-3-ol
Synonymsbeta-Cryptoxanthin
Identifiers(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
FormulaC40 H56 O
Molecular Weight552.872
TypeNON-POLYMER
Isomeric SMILESCC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C
InChIInChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
InChIKeyDMASLKHVQRHNES-FKKUPVFPSA-N

Chemical Details

Formal Charge0
Atom Count97
Chiral Atom Count1
Bond Count98
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB15914 
NameCryptoxanthin
Groups experimental
Synonyms
  • Cryptoxanthol
  • Kryptoxanthin
  • Cryptoxanthin
  • Cryptoxanthine
  • Neocryptoxanthin
Categories
  • Alkenes
  • Biological Factors
  • Carotenoids
  • Cryptoxanthins
  • Cyclohexanes
CAS number472-70-8

Related Resource References

Resource NameReference
PubChem 5281235
ChEBI CHEBI:10362