Description
Alisol C 23-acetate is derived from the tubers of a traditional Chinese medicine Alisma plantago-aquatica Linn..
Synonyms
[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate
Alisol C monoacetate
Alisol C (23-acetate)
26575-93-9
23-Acetyl
IUPAC Name
[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate
Molecular Formula
C32H48O6
Canonical SMILES
CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O
InChI
1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1
InChIKey
KOOCQNIPRJEMDH-QSKXMHMESA-N
Boiling Point
624.9±55.0 °C | Condition: Press: 760 Torr
Solubility
Soluble in DMSO
Storage
Store in a cool and dry place and at 0 - 4°C for short term (days to weeks) or -141°C for long term (months to years).