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12,18-bis(acetyloxy)-19-methoxy-2-oxapentacyclo[22.2.2.1(3,7).0(10,15).0(16,21)]nonacosa-1(26),3(29),4,6,10,12,14,16,18,20,24,27-dodecaen-4-yl acetate
SpectraBase Compound ID 6eYyD6qoQa7
InChI InChI=1S/C35H32O8/c1-21(36)40-29-14-15-30-26(18-29)11-6-25-9-16-32(41-22(2)37)34(17-25)43-28-12-7-24(8-13-28)5-10-27-19-33(39-4)35(20-31(27)30)42-23(3)38/h7-9,12-20H,5-6,10-11H2,1-4H3
InChIKey PIPBPTBBKFCNQC-UHFFFAOYSA-N
Mol Weight 580.6 g/mol
Molecular Formula C35H32O8
Exact Mass 580.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Z9FfJkZFWB
Name 12,18-bis(acetyloxy)-19-methoxy-2-oxapentacyclo[22.2.2.1(3,7).0(10,15).0(16,21)]nonacosa-1(26),3(29),4,6,10,12,14,16,18,20,24,27-dodecaen-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H32O8
InChI InChI=1S/C35H32O8/c1-21(36)40-29-14-15-30-26(18-29)11-6-25-9-16-32(41-22(2)37)34(17-25)43-28-12-7-24(8-13-28)5-10-27-19-33(39-4)35(20-31(27)30)42-23(3)38/h7-9,12-20H,5-6,10-11H2,1-4H3
InChIKey PIPBPTBBKFCNQC-UHFFFAOYSA-N
Molecular Weight 580.633 g/mol
SMILES c12-c3c(cc(cc3)OC(=O)C)CCc3cc(Oc4ccc(CCc1cc(OC)c(c2)OC(=O)C)cc4)c(cc3)OC(=O)C
SPLASH splash10-0006-9320220000-0a520fde4b1567e0ceaf
Source of Spectrum F-48-922-6
Synonyms 2,13-20-Triacetoxy-5,6,17,18-tetrahydro-3-methoxy-7,10-ethano-12,16-methano-16H-dibenz[h,j]oxacyclooctadecin plagiochin C-triacetate
Wiley ID 1408517