Dioscin[薯蓣皂苷]

CAS:19057-60-4

SKU： NCC.19057.60.4 分类：
保证安全结账

CAS Registry Number®

19057-60-4

CAS Name

(+)-Dioscin

Molecular Formula

C45H72O16

Molecular Mass

869.04

Compound Properties

  • Melting Point (1)

    288 °C (decomp)

Source(s)

  • (1) Tsukamoto, Takeo; Yakugaku Zasshi, (1936), 56, 802(in German 135-40), CAplus

Other Names and Identifiers

InChI

InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

InChIKey

InChIKey=VNONINPVFQTJOC-ZGXDEBHDSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](CO)O6)CC5)[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CO9)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65)C3(C)CC2)C(OC8OC(C)C(O)C(O)C8O)C(O)C1OC9OC(C)C(O)C(O)C9O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
  • Dioscin
  • (3β,25R)-Spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside
  • Dioscine
  • Diosgenin bis-α-L-rhamnopyranosyl-(1→2 and 1→4)-β-D-glucopyranoside
  • Collettiside III
  • (+)-Dioscin
  • Polyphyllin III
  • Diosgenin 3-O-α-L-rhamnopyranosyl-(1→4)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranoside
  • 3-O-β-D-α-L-Rhamnopyranosyl(1→4)-[α-L-rhamnopyranosyl(1→2)]-β-D-glucopyranoside-diosgenin
  • Diosgenin 3-O-α-L-rhamnopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside
  • Paris III
  • Parissaponin III

Deleted or Replaced CAS Registry Numbers

1380-39-8, 2896165-69-6

相关产品

滚动至顶部