Spirostan-2,12-dione, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-
CAS Registry Number®
CAS Name
Spirostan-2,12-dione, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-Molecular Formula
C50H78O25Molecular Mass
1079.14Cite this Page
Spirostan-2,12-dione, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=289690-77-3 (retrieved ) (CAS RN: 289690-77-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C50H78O25/c1-17-5-6-50(67-15-17)18(2)32-27(75-50)8-21-19-7-23(54)22-9-26(24(55)11-48(22,3)20(19)10-31(57)49(21,32)4)68-45-40(65)37(62)41(30(14-53)71-45)72-47-43(74-46-39(64)36(61)34(59)28(12-51)69-46)42(35(60)29(13-52)70-47)73-44-38(63)33(58)25(56)16-66-44/h17-23,25-30,32-47,51-54,56,58-65H,5-16H2,1-4H3/t17-,18+,19-,20+,21+,22-,23-,25-,26-,27+,28-,29-,30-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48-,49-,50-/m1/s1
InChIKey
InChIKey=WNOJNAYYPHOSGO-GGTNACGLSA-N
SMILES
C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2=O)([C@]5(C)[C@@]([C@H](O)C4)(C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@H]6O)C(=O)C5)[H])[H])[H])[H])(O[C@@]%10([C@H]3C)CC[C@@H](C)CO%10)[H])[H]
Canonical SMILES
O=C1CC2(C)C(CC1OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC6OC(CO)C(O)C(O)C6O)C(O)C3O)C(O)CC7C2CC(=O)C8(C)C7CC9OC%10(OCC(C)CC%10)C(C)C98
Other Names for this Substance
- Spirostan-2,12-dione, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-
