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Substance Name: Crocetin gentiobiosylglucosyl ester
RN: 55750-84-0
UNII: ZF2MOD2N6Y
InChIKey: CZSBHMFVVLYIQQ-DRVLGOCHSA-N

Molecular Formula

  • C38-H54-O19

Molecular Weight

  • 814.8256
 
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Names and Synonyms

Name of Substance

  • Crocetin gentiobiosylglucosyl ester

Synonyms

  • All-trans-crocetin beta-D-gentiobiosyl-beta-D-glucosyl ester
  • beta-D-Glucopyranose, 6-o-beta-D-glucopyranosyl-, 1-((2E,4E,6E,8E,10E,12E,14E)-beta-D-glucopyranosyl 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate)
  • Crocetin gentiobiosylglucosyl ester
  • trans-Crocetin (beta-D-glucosyl)-(beta-D-gentiobiosyl) ester
  • UNII-ZF2MOD2N6Y

Registry Numbers

CAS Registry Number

  • 55750-84-0

FDA UNII

  • ZF2MOD2N6Y

System Generated Number

  • 0055750840

Structure Descriptors

InChI

1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1

InChIKey

CZSBHMFVVLYIQQ-DRVLGOCHSA-N

Smiles

C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O