(1β,3β,23S,24R,25S)-1-[(O-D-Apio-β-D-furanosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-3,23,24-trihydroxy-18-norspirosta-5,13-dien-15-one

CAS Registry Number®

77658-50-5

CAS Name

(1β,3β,23S,24R,25S)-1-[(O-D-Apio-β-D-furanosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-3,23,24-trihydroxy-18-norspirosta-5,13-dien-15-one

Molecular Formula

C47H70O23

Molecular Mass

1003.04

Cite this Page

(1β,3β,23S,24R,25S)-1-[(O-D-Apio-β-D-furanosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-3,23,24-trihydroxy-18-norspirosta-5,13-dien-15-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77658-50-5 (retrieved 2024-11-23) (CAS RN: 77658-50-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H70O23/c1-16-11-64-47(39(58)29(16)52)17(2)27-22-7-8-23-21(28(22)32(55)36(27)70-47)6-5-19-9-20(49)10-26(45(19,23)4)66-43-38(35(25(51)13-62-43)67-41-33(56)31(54)24(50)12-61-41)69-42-34(57)37(30(53)18(3)65-42)68-44-40(59)46(60,14-48)15-63-44/h5,16-18,20-21,23-27,29-31,33-44,48-54,56-60H,6-15H2,1-4H3/t16-,17-,18-,20+,21+,23-,24+,25-,26+,27+,29+,30-,31-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+,47-/m0/s1

InChIKey

InChIKey=DTEXDRWNOZAWNZ-TVBPKDTLSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1(C4=C(C3=O)[C@]5([C@](CC4)([C@@]6(C)[C@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O[C@H]9[C@H](O)[C@](CO)(O)CO9)[C@@H](O)[C@H](C)O8)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)CO7)C[C@H](O)CC6=CC5)[H])[H])[H])[H])[C@@H](O)[C@H](O)[C@@H](C)CO2

Canonical SMILES

O=C1C2=C(CCC3C2CC=C4CC(O)CC(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5OC7OC(C)C(O)C(OC8OCC(O)(CO)C8O)C7O)C43C)C9C1OC%10(OCC(C)C(O)C%10O)C9C

Other Names for this Substance

  • 18-Norspirosta-5,13-dien-15-one, 1-[(O-D-apio-β-D-furanosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-3,23,24-trihydroxy-, (1β,3β,23S,24R,25S)-
  • (1β,3β,23S,24R,25S)-1-[(O-D-Apio-β-D-furanosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-3,23,24-trihydroxy-18-norspirosta-5,13-dien-15-one
  • 21-Deoxytrillenoside A
  • Deoxytrillenoside A

CAS INSIGHTSTM
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