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Substance Name: Thelenotoside B
RN: 72175-95-2
InChIKey: RBADDKIIVLROHL-UHFFFAOYSA-N

Molecular Formula

  • C55-H88-O23

Molecular Weight

  • 1117.28
 
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Names and Synonyms

Name of Substance

  • Thelenotoside B

Systematic Name

  • Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,23S)-

Registry Numbers

CAS Registry Number

  • 72175-95-2

System Generated Number

  • 0072175952

Structure Descriptors

InChI

1S/C55H88O23/c1-24(2)18-26(71-25(3)58)19-54(8)34-13-16-53(7)28-10-11-33-51(4,5)35(14-15-52(33,6)27(28)12-17-55(34,53)50(67)78-54)74-49-45(36(61)29(59)22-70-49)77-47-39(64)38(63)43(32(21-57)73-47)76-46-40(65)42(30(60)23-69-46)75-48-41(66)44(68-9)37(62)31(20-56)72-48/h10,24,26-27,29-49,56-57,59-66H,11-23H2,1-9H3

InChIKey

RBADDKIIVLROHL-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H](OC)[C@@H]([C@@H]1O[C@@H]1[C@@H]([C@@H](OC[C@@H]1O)O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](O[C@@H]3CC[C@@]4([C@@H]5CC[C@@]67[C@@H](CC[C@@]7(C)C5=CC[C@@H]4C3(C)C)[C@@](C)(OC6=O)C[C@@H](CC(C)C)OC(C)=O)C)OC[C@@H]([C@@H]2O)O)[C@@H](O)[C@@H]1O)O)O)O)CO