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Methyl 12(r,s)-12-acetoxy-8-hydroxy-labdan-15-oate
SpectraBase Compound ID GSqW1OWfGTa
InChI InChI=1S/C23H40O5/c1-15(13-20(25)27-7)17(28-16(2)24)14-19-22(5)11-8-10-21(3,4)18(22)9-12-23(19,6)26/h15,17-19,26H,8-14H2,1-7H3/t15-,17?,18?,19?,22-,23+/m0/s1
InChIKey WOYIYWIFNCPUMZ-MBMXOHCNSA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H40O5
Exact Mass 396.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQM5NUvvCLW
Name Methyl 12(r,s)-12-acetoxy-8-hydroxy-labdan-15-oate
Alternate Name(s) Methyl (3S)-4-(acetyloxy)-5-[(2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methylpentanoate
CAS Registry Number 108888-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O5
InChI InChI=1S/C23H40O5/c1-15(13-20(25)27-7)17(28-16(2)24)14-19-22(5)11-8-10-21(3,4)18(22)9-12-23(19,6)26/h15,17-19,26H,8-14H2,1-7H3/t15-,17?,18?,19?,22-,23+/m0/s1
InChIKey WOYIYWIFNCPUMZ-MBMXOHCNSA-N
Molecular Weight 396.568 g/mol
SMILES O[C@]1(C([C@@]2(C(C(C)(C)CCC2)CC1)C)CC(OC(=O)C)[C@](CC(=O)OC)(C)[H])C
SPLASH splash10-06ds-7902000000-6d8db4ad295503f382ae
Source of Spectrum F-42-4572-11
Wiley ID 1367574