CAS Registry Number®
25161-41-5
CAS Name
Acevaltrate
Molecular Formula
C24H32O10
Molecular Mass
480.50
Compound Properties
-
Melting Point (1)
80-81 °C
Source(s)
- (1) Huang, Bao-Kang; Chemistry of Natural Compounds, (2009), 45(3), 363-366, CAplus
Other Names and Identifiers
InChI
InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
InChIKey
InChIKey=FWKBQAVMKVZEOT-STCFVSJZSA-N
SMILES
O(C(CC(OC(C)=O)(C)C)=O)[C@@H]1[C@@]2([C@@]3(C(=C1)C(COC(C)=O)=CO[C@H]3OC(CC(C)C)=O)[H])CO2
Canonical SMILES
O=C(OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(OC(=O)C)(C)C)C32OC3)C
Other Names for this Substance
- Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,2′R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-6-yl ester
- Butanoic acid, 3-(acetyloxy)-3-methyl-, 4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-6-yl ester, [1S-(1α,6α,7β,7aα)]-
- Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane], butanoic acid deriv.
- Acevaltrate
- Acevaltratum
- (Acetyloxy)valepotriate
- Acetoxyvaltrate
- Acetovaltrate
Deleted or Replaced CAS Registry Numbers
23067-35-8, 28325-58-8, 30584-21-5, 31244-57-2
