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FuxFCU9mtkF
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FuxFCU9mtkF
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Methyl ent-12.beta.- Acetoxy-17-oxokaur-15-en-19-oate
SpectraBase Compound ID LRDcw0Ideid
InChI InChI=1S/C23H32O5/c1-14(25)28-17-10-19-21(2)7-5-8-22(3,20(26)27-4)18(21)6-9-23(19)11-15(13-24)16(17)12-23/h11,13,16-19H,5-10,12H2,1-4H3/t16-,17+,18+,19+,21-,22-,23-/m1/s1
InChIKey QXNVDWGXUGYHNS-WJPQBGAJSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuxFCU9mtkF
Name Methyl ent-12.beta.- Acetoxy-17-oxokaur-15-en-19-oate
Appearance Colorless plates
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-14(25)28-17-10-19-21(2)7-5-8-22(3,20(26)27-4)18(21)6-9-23(19)11-15(13-24)16(17)12-23/h11,13,16-19H,5-10,12H2,1-4H3/t16-,17+,18+,19+,21-,22-,23-/m1/s1
InChIKey QXNVDWGXUGYHNS-WJPQBGAJSA-N
Instrument Name Hewlett-Packard 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np030490j
Molecular Weight 388.504 g/mol
Optical Rotation [a]D20 = -39.6 (c = 0.723, CHCl3)
SMILES C1C[C@@]2([C@@](CC[C@@]34[C@@]2([H])C[C@](OC(C)=O)([C@](C4)(C(=C3)C=O)[H])[H])([H])[C@](C)(C(OC)=O)C1)C
SPLASH splash10-0603-1921000000-1fc753a366caed54e21b
Source of Spectrum G4-67-620-19
Wiley ID 1881743
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