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(6aR,6bS,10aR,10bS,16aR,20bS)-1,2,3,4,5,6,6a,6b,10a,10b,11,12,13,14,15,16,16a,20b-octadecahydrodicyclonona[fg,op]naphthacene-7,10,17,20-tetrone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(6aR,6bS,10aR,10bS,16aR,20bS)-1,2,3,4,5,6,6a,6b,10a,10b,11,12,13,14,15,16,16a,20b-octadecahydrodicyclonona[fg,op]naphthacene-7,10,17,20-tetrone
SpectraBase Compound ID Jn8qB4bnw4R
InChI InChI=1S/C30H34O4/c31-21-13-14-23(33)29-19-11-7-3-4-8-12-20-26(19)25-17(27(21)29)9-5-1-2-6-10-18(25)28-22(32)15-16-24(34)30(20)28/h13-20,27,29H,1-12H2/t17-,18-,19+,20+,27+,29-
InChIKey SVEHSEDNWTXNMY-HCTRTYFSSA-N
Mol Weight 458.6 g/mol
Molecular Formula C30H34O4
Exact Mass 458.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTspwUj9YCc
Name (6aR,6bS,10aR,10bS,16aR,20bS)-1,2,3,4,5,6,6a,6b,10a,10b,11,12,13,14,15,16,16a,20b-octadecahydrodicyclonona[fg,op]naphthacene-7,10,17,20-tetrone
CAS Registry Number 129732-02-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O4
InChI InChI=1S/C30H34O4/c31-21-13-14-23(33)29-19-11-7-3-4-8-12-20-26(19)25-17(27(21)29)9-5-1-2-6-10-18(25)28-22(32)15-16-24(34)30(20)28/h13-20,27,29H,1-12H2/t17-,18-,19+,20+,27+,29-
InChIKey SVEHSEDNWTXNMY-HCTRTYFSSA-N
Molecular Weight 458.598 g/mol
SMILES C12=C3[C@@]4(CCCCCC[C@]3([H])[C@]3([C@@]([C@@]1(CCCCCC[C@]2(C1=C4C(C=CC1=O)=O)[H])[H])(C(C=CC3=O)=O)[H])[H])[H]
SPLASH splash10-0a4i-0000900000-5e828d0a0308b5cd8d1b
Source of Spectrum K-124-154-11
Synonyms (1.alpha.,8.beta.,15.beta.,22.alpha.,23.alpha.,28.alpha.)-hexacyclo[20,6,2.0(8,29).099,14).0(15,30).0(23,28)]triaconta-9(14),11,25,29-tetraene-10,13 24,27-tetraone
Wiley ID 1390015