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Substance Name: Physalien
RN: 144-67-2
UNII: 570944I2YB
InChIKey: XACHQDDXHDTRLX-XLVVAOPESA-N

Molecular Formula

  • C72-H116-O4

Molecular Weight

  • 1045.7044
 
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Names and Synonyms

Results Name

  • Physalien

Name of Substance

  • Physalien

Synonyms

  • EINECS 205-635-9
  • Physalien
  • UNII-570944I2YB

Systematic Names

  • (3R,3R')-beta,beta-Carotene-3,3'-diyl dipalmitate
  • beta,beta-Carotene-3,3'-diol, dihexadecanoate, (3R,3'R)-

Registry Numbers

CAS Registry Number

  • 144-67-2

FDA UNII

  • 570944I2YB

System Generated Number

  • 0000144672

Structure Descriptors

InChI

1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1

InChIKey

XACHQDDXHDTRLX-XLVVAOPESA-N

Smiles

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C(=C(C1)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)OC(=O)CCCCCCCCCCCCCCC)C)\C)\C)/C)/C)(C)C