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Substance Name: CI 75135
RN: 3763-55-1
UNII: 0PWJ89032Q
InChIKey: ABTRFGSPYXCGMR-AXXBKCDFSA-N

Molecular Formula

  • C40-H56-O

Molecular Weight

  • 552.8814
 
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Names and Synonyms

Name of Substance

  • CI 75135
  • Natural yellow 27
  • Rubixanthin

Synonyms

  • (3R)-beta-4-Caroten-3-ol
  • UNII-0PWJ89032Q

Systematic Name

  • beta-4-Caroten-3-ol, (3R)-

Registry Numbers

CAS Registry Number

  • 3763-55-1

FDA UNII

  • 0PWJ89032Q

System Generated Number

  • 0003763551

Structure Descriptors

InChI

1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1

InChIKey

ABTRFGSPYXCGMR-AXXBKCDFSA-N

Smiles

CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C