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Excavatolide P
SpectraBase Compound ID 4HGYfw5tuPm
InChI InChI=1S/C28H36O12/c1-12-9-17(34-13(2)29)22(36-15(4)31)25(6)18(35-14(3)30)11-19-26(7,39-19)21(25)23(37-16(5)32)28-20(10-12)38-24(33)27(28,8)40-28/h10,17-23H,9,11H2,1-8H3/b12-10-/t17-,18?,19?,20+,21-,22+,23?,25+,26-,27+,28+/m1/s1
InChIKey UDFAVOZUFNGPCB-FOLYQUCYSA-N
Mol Weight 564.6 g/mol
Molecular Formula C28H36O12
Exact Mass 564.220677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpXHnChmcNF
Name Excavatolide P
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O12
InChI InChI=1S/C28H36O12/c1-12-9-17(34-13(2)29)22(36-15(4)31)25(6)18(35-14(3)30)11-19-26(7,39-19)21(25)23(37-16(5)32)28-20(10-12)38-24(33)27(28,8)40-28/h10,17-23H,9,11H2,1-8H3/b12-10-/t17-,18?,19?,20+,21-,22+,23?,25+,26-,27+,28+/m1/s1
InChIKey UDFAVOZUFNGPCB-FOLYQUCYSA-N
Molecular Weight 564.584 g/mol
SMILES [C@]123[C@@](C(=O)O[C@]3(\C=C/(C[C@](OC(=O)C)([H])[C@@]([C@@]3([C@]([C@@]4(OC4CC3OC(=O)C)C)(C2OC(=O)C)[H])C)(OC(=O)C)[H])C)[H])(C)O1
SPLASH splash10-000t-9100400000-4b6d842f472297530ba3
Source of Spectrum B-52-365-5
Synonyms (1S,3S,5R,8S,9Z,12R,13R,14R,19S)-12,13,15-tris(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0(3,5).0(3,8).0(17,19)]nonadec-9-en-2-yl acetate 2,3,9,14-Tetraacetoxy-8,17 : 11,12-bis(epoxy)briar-5-en-18-one
Wiley ID 746351