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Substance Name: Halityloside D
RN: 102046-49-1
InChIKey: WRQWUNHMUXGXID-RNZYKZAGSA-N

Note

  • Isolated from the brine shrimp active fraction of the MeOH extract of the starfish Certonardoa semiregularis.

Molecular Formula

  • C39-H68-O14

Molecular Weight

  • 760.9522
 
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Names and Synonyms

Results Name

  • Halityloside D

Synonyms

  • (-)-Culcitoside C1
  • 4beta-Hydroxyhalityloside E
  • Culcitoside C1
  • Halityloside D

Systematic Name

  • alpha-L-Arabinofuranoside, (3beta,4beta,5alpha,6alpha,15beta,24S)-3,4,6,8,15-pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-

Registry Numbers

CAS Registry Number

  • 102046-49-1

System Generated Number

  • 0102046491

Structure Descriptors

InChI

1S/C39H68O14/c1-18(2)24(51-36-33(30(45)25(16-40)52-36)53-35-32(49-7)31(46)26(48-6)17-50-35)9-8-19(3)20-14-22(42)34-37(20,4)13-11-27-38(5)12-10-21(41)29(44)28(38)23(43)15-39(27,34)47/h18-36,40-47H,8-17H2,1-7H3/t19-,20-,21+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33-,34-,35+,36-,37-,38-,39+/m1/s1

InChIKey

WRQWUNHMUXGXID-RNZYKZAGSA-N

Smiles

C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)OC)O)OC)[C@H]3C[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@]4(C[C@@H]([C@@H]6[C@@]5(CC[C@@H]([C@@H]6O)O)C)O)O)C)O