Pregna-5,16-dien-20-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranosyl)oxy]-, (3β)-
CAS Registry Number®
CAS Name
Pregna-5,16-dien-20-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranosyl)oxy]-, (3β)-Molecular Formula
C45H70O19Molecular Mass
915.03Cite this Page
Pregna-5,16-dien-20-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranosyl)oxy]-, (3β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=312304-02-2 (retrieved ) (CAS RN: 312304-02-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H70O19/c1-17(47)24-9-10-25-23-8-7-21-15-22(11-13-44(21,5)26(23)12-14-45(24,25)6)60-43-36(56)32(52)39(27(16-46)61-43)64-42-35(55)31(51)38(20(4)59-42)63-41-34(54)30(50)37(19(3)58-41)62-40-33(53)29(49)28(48)18(2)57-40/h7,9,18-20,22-23,25-43,46,48-56H,8,10-16H2,1-6H3/t18-,19-,20-,22-,23-,25-,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40-,41-,42-,43+,44-,45+/m0/s1
InChIKey
InChIKey=SULXAXUGFHTBKQ-HXTNBPOASA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(C(C)=O)=CC4)[H])(CC=C1C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@H](C)O7)[C@H](C)O6)[C@H](O)[C@H]5O)CC2)[H])[H]
Canonical SMILES
O=C(C1=CCC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C)C
Other Names for this Substance
- Pregna-5,16-dien-20-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranosyl)oxy]-, (3β)-