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Substance Name: 2'-O-Acetylactein
RN: 345968-83-4
UNII: 020NX485OR
InChIKey: KWPBPWVYOWXHER-KBHPJZKOSA-N

Note

  • Cyclolanostane from the roots of Cimicifuga foetida (Ranunculaceae).

Molecular Formula

  • C39-H58-O12

Molecular Weight

  • 718.8752
 
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Names and Synonyms

Name of Substance

  • 2'-O-Acetylactein

Synonyms

  • 2'-Acetylactein
  • 2'-O-Acetylactein
  • 2'-O-Acetylactein, (-)-
  • beta-D-Xylopyranoside, (3beta,12beta,16beta,23R,24R,25S,26S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl, 2-acetate
  • UNII-020NX485OR

Registry Numbers

CAS Registry Number

  • 345968-83-4

FDA UNII

  • 020NX485OR

System Generated Number

  • 0345968834

Structure Descriptors

InChI

InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1

InChIKey

KWPBPWVYOWXHER-KBHPJZKOSA-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]8OC(=O)C)O[C@H](O)[C@@]9(C)O[C@@H]29