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Substance Name: Actein
RN: 18642-44-9
UNII: I14QO4LW9V
InChIKey: NEWMWGLPJQHSSQ-PSDKAYTQSA-N

Note

  • A cyclolanostane from the Chinese drug Shoma.

Molecular Formula

  • C37-H56-O11

Molecular Weight

  • 676.8384
 
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Names and Synonyms

Name of Substance

  • Actein

Synonym

  • UNII-I14QO4LW9V

Systematic Name

  • beta-D-Xylopyranoside, (3beta,12beta)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cycloanostan-3-yl

Registry Numbers

CAS Registry Number

  • 18642-44-9

FDA UNII

  • I14QO4LW9V

System Generated Number

  • 0018642449

Structure Descriptors

InChI

1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1

InChIKey

NEWMWGLPJQHSSQ-PSDKAYTQSA-N

Smiles

C[C@@H]1C[C@@]2(O[C@H]3C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]57C[C@@H](OC(=O)C)[C@]4(C)[C@@H]13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)O[C@H](O)[C@@]9(C)O[C@@H]29