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Picras-2-ene-1,16-dione, 11-(acetyloxy)-13-hydroxy-2,12-dimethoxy-, (11.alpha.,12.beta.)-
SpectraBase Compound ID CfDzQygOx4s
InChI InChI=1S/C24H34O8/c1-11-8-14(29-6)20(27)22(3)13(11)9-16-23(4)15(10-17(26)32-16)24(5,28)21(30-7)18(19(22)23)31-12(2)25/h8,11,13,15-16,18-19,21,28H,9-10H2,1-7H3
InChIKey ISYHXQAQWVPQKA-UHFFFAOYSA-N
Mol Weight 450.5 g/mol
Molecular Formula C24H34O8
Exact Mass 450.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACEt9NDJKQ2
Name Picras-2-ene-1,16-dione, 11-(acetyloxy)-13-hydroxy-2,12-dimethoxy-, (11.alpha.,12.beta.)-
CAS Registry Number 28360-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O8
InChI InChI=1S/C24H34O8/c1-11-8-14(29-6)20(27)22(3)13(11)9-16-23(4)15(10-17(26)32-16)24(5,28)21(30-7)18(19(22)23)31-12(2)25/h8,11,13,15-16,18-19,21,28H,9-10H2,1-7H3
InChIKey ISYHXQAQWVPQKA-UHFFFAOYSA-N
Molecular Weight 450.528 g/mol
SMILES OC1(C2C3(C)C(C4(C)C(CC3OC(C2)=O)C(C)C=C(C4=O)OC)C(OC(C)=O)C1OC)C
SPLASH splash10-00kf-0935000000-f949818eacd1fff9b5da
Source of Spectrum O8-0-297-0
Synonyms Nigakilactone E Phenanthro[10,1-bc]pyran-5,11(1H,4H)-dione, 2,3,3a.beta.,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,3.beta.-dihydroxy-2.beta.,10-dimethoxy-3,8.alpha.,11a.beta.,11c.beta.-tetramethyl-, 1-acetate, (+)-
Wiley ID 1387667