Spirostan-12-one, 3-[(O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-, (3β,5β,25R)-

CAS Registry Number®

244762-25-2

CAS Name

Spirostan-12-one, 3-[(O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-, (3β,5β,25R)-

Molecular Formula

C44H70O18

Molecular Mass

887.02

Cite this Page

Spirostan-12-one, 3-[(O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-, (3β,5β,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=244762-25-2 (retrieved 2025-03-14) (CAS RN: 244762-25-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H70O18/c1-18-7-10-44(57-15-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(47)43(24,30)4)58-41-38(61-40-37(54)34(51)32(49)27(14-45)59-40)35(52)33(50)28(60-41)17-56-39-36(53)31(48)25(46)16-55-39/h18-28,30-41,45-46,48-54H,5-17H2,1-4H3/t18-,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43-,44-/m1/s1

InChIKey

InChIKey=JNPONVQKBRADJJ-QHGZKFKNSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2=O)([C@]5(C)[C@](CC4)(C[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8)O6)CC5)[H])[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CO9)[H])[H]

Canonical SMILES

O=C1CC2C(CCC3CC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC6OC(CO)C(O)C(O)C6O)CCC32C)C7CC8OC9(OCC(C)CC9)C(C)C8C17C

Other Names for this Substance

  • Spirostan-12-one, 3-[(O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-, (3β,5β,25R)-

CAS INSIGHTSTM
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