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Naphth[1,2-b]oxirene-7b(1aH)-acetic acid, octahydro-4-(methoxycarbonyl)-1a,4,7a-trimethyl-, methyl ester, [1aS-(1a.alpha.,3a.alpha.,4.beta.,7a.beta.,7b.alpha.)]-
SpectraBase Compound ID IwMyrAbqsaF
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-TUWRNDLFSA-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 CUIIP3Mm9mD
Name Naphth[1,2-b]oxirene-7b(1aH)-acetic acid, octahydro-4-(methoxycarbonyl)-1a,4,7a-trimethyl-, methyl ester, [1aS-(1a.alpha.,3a.alpha.,4.beta.,7a.beta.,7b.alpha.)]-
CAS Registry Number 90243-50-8
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-TUWRNDLFSA-N
Molecular Weight 324.417 g/mol
SMILES [C@@]12(O[C@]2(CC[C@@]2([C@@]1(CCC[C@]2(C(=O)OC)C)C)[H])C)CC(=O)OC
SPLASH splash10-00dr-0971000000-85572ab01e60eb6ab0c0
Source of Spectrum B-37-415-0
Synonyms Dimethyl 8.alpha.,17.alpha.-epoxy-13,14,15,16-tetranorlabdane-12,19-dioate Dimethyl 8.beta.,9.beta.-epoxy-13,14,15,16-tetranorlabdane-12,19-dioates Methyl (1aS,3aR,4R,7aS,7bS)-7b-(2-methoxy-2-oxoethyl)-1a,4,7a-trimethyldecahydronaphtho[1,2-b]oxirene-4-carboxylate
Wiley ID 1323207