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C22H30O8CAS 18296-44-1422.47 g/mol

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AcetalAlkeneEpoxideEsterEther

Properties

Molecular formula
C22H30O8
Molar mass
422.47 g/mol
Exact mass
422.1941 Da
logP
2.66Crippen estimate
Polar surface area
100.7 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
8
Stereocentres
S, S, S, Rin SMILES atom order

Identifiers

CAS number
18296-44-1
SMILES
CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1
InChIKey
BDIAUFOIMFAIPU-KVJIRVJXSA-N
InChI
InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1

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Names and synonyms

8 names
  • Butanoic acid, 3-methyl-, 1,1′-[(1S,2′R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl] ester
  • Butanoic acid, 3-methyl-, 4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester, [1S-(1α,6α,7β,7aα)]-
  • Butanoic acid, 3-methyl-, (1S,2′R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester
  • Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane], butanoic acid deriv.
  • Valepotriate
  • Valtratum
  • Halazuchrome B
  • Baldrisedon

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