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WPNXQSUXBXXEFF-IEPIVQAWSA-N

View entire compound with spectra: 1 NMR, and 2 MS (GC)

WPNXQSUXBXXEFF-IEPIVQAWSA-N
SpectraBase Compound ID GAXFSVSqpBw
InChI InChI=1S/C21H34O3/c1-6-8-15-9-10-17-19(2)12-7-13-20(3,18(22)23-5)16(19)11-14-21(17,4)24-15/h6,15-17H,1,7-14H2,2-5H3/t15-,16?,17+,19-,20-,21+/m0/s1
InChIKey WPNXQSUXBXXEFF-IEPIVQAWSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FxQ4t4b9FS
Name Methyl 8,13-epoxy-14(13->16)abeo-labd-14-en-19-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-6-8-15-9-10-17-19(2)12-7-13-20(3,18(22)23-5)16(19)11-14-21(17,4)24-15/h6,15-17H,1,7-14H2,2-5H3/t15-,16?,17+,19-,20-,21+/m0/s1
InChIKey WPNXQSUXBXXEFF-IEPIVQAWSA-N
Molecular Weight 334.500 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CC[C@@]2([C@@]1(CC[C@@](CC=C)([H])O2)[H])C)C
SPLASH splash10-01b9-0290000000-3d18dc0dd69bdc0f17bc
Source of Spectrum Y4-86-790-12
Wiley ID 1550226