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Naphth[1,2-b]oxirene-7b(1aH)-acetic acid, octahydro-4-(methoxycarbonyl)-1a,4,7a-trimethyl-, methyl ester, (1a.alpha.,3a.beta.,4.alpha.,7a.alpha.,7b.alpha.)-
SpectraBase Compound ID DrjHhLIvpUL
InChI InChI=1S/C18H28O5/c1-15(14(20)22-5)8-6-9-16(2)12(15)7-10-17(3)18(16,23-17)11-13(19)21-4/h12H,6-11H2,1-5H3/t12-,15?,16-,17+,18-/m0/s1
InChIKey PDABHUURUWCZPJ-LRCWTTKQSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72rt5PspAa9
Name Naphth[1,2-b]oxirene-7b(1aH)-acetic acid, octahydro-4-(methoxycarbonyl)-1a,4,7a-trimethyl-, methyl ester, (1a.alpha.,3a.beta.,4.alpha.,7a.alpha.,7b.alpha.)-
CAS Registry Number 90181-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-15(14(20)22-5)8-6-9-16(2)12(15)7-10-17(3)18(16,23-17)11-13(19)21-4/h12H,6-11H2,1-5H3/t12-,15?,16-,17+,18-/m0/s1
InChIKey PDABHUURUWCZPJ-LRCWTTKQSA-N
Molecular Weight 324.417 g/mol
SMILES [C@@]12(O[C@@]2(CC[C@@]2([C@@]1(CCCC2(C(=O)OC)C)C)[H])C)CC(=O)OC
SPLASH splash10-0ab9-0955000000-5f0b0feb3d9966edfc21
Source of Spectrum B-37-415-0
Synonyms Dimethyl 8.alpha.,9.alpha.-epoxy-13,14,15,16-tetranorlabdane-12,19-dioate Dimethyl 8.beta.,17.beta.-epoxy-13,14,15,16-tetranorlabdane-12,19-dioate Methyl (1aR,3aR,7aS,7bS)-7b-(2-methoxy-2-oxoethyl)-1a,4,7a-trimethyldecahydronaphtho[1,2-b]oxirene-4-carboxylate
Wiley ID 1323205