chempirical

Acevaltrate

C24H32O10CAS 25161-41-5480.51 g/mol

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AcetalAlkeneEpoxideEsterEther

Properties

Molecular formula
C24H32O10
Molar mass
480.51 g/mol
Exact mass
480.1995 Da
Melting point
80–81 °C
logP
2.35Crippen estimate
Polar surface area
127.0 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
9
Stereocentres
S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25161-41-5
SMILES
CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]21CO1
InChIKey
FWKBQAVMKVZEOT-STCFVSJZSA-N
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

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Names and synonyms

7 names
  • 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.
  • Acevaltratum
  • (Acetyloxy)valepotriate
  • Acetoxyvaltrate
  • Acetovaltrate

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Similar compounds

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Elsewhere

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