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8-Hydroxy-17-iodo-labda-13-en-16,15-olid-19-oic acid methyl ester

View entire compound with spectra: 2 MS (GC)

8-Hydroxy-17-iodo-labda-13-en-16,15-olid-19-oic acid methyl ester
SpectraBase Compound ID AsI6EOYHCyd
InChI InChI=1S/C21H31IO5/c1-19-9-4-10-20(2,18(24)26-3)15(19)7-11-21(25,13-22)16(19)6-5-14-8-12-27-17(14)23/h8,15-16,25H,4-7,9-13H2,1-3H3/t15-,16+,19+,20+,21+/m0/s1
InChIKey VCBQOZWMCNPIMF-UHFFFAOYSA-N
Mol Weight 490.38 g/mol
Molecular Formula C21H31IO5
Exact Mass 490.121619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWsYjR6yiJ0
Name 8-Hydroxy-17-iodo-labda-13-en-16,15-olid-19-oic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31IO5
InChI InChI=1S/C21H31IO5/c1-19-9-4-10-20(2,18(24)26-3)15(19)7-11-21(25,13-22)16(19)6-5-14-8-12-27-17(14)23/h8,15-16,25H,4-7,9-13H2,1-3H3/t15-,16-,19-,20-,21-/m1/s1
InChIKey VCBQOZWMCNPIMF-UHFFFAOYSA-N
Molecular Weight 490.378 g/mol
SMILES O[C@@]1([C@@]([C@]2([C@]([C@@](C(=O)OC)(C)CCC2)(CC1)[H])C)(CCC=1C(OCC1)=O)[H])CI
SPLASH splash10-0a4j-0900000000-323b0b59cfea4732c8a5
Source of Spectrum QB-19-594-2
Synonyms 17-Hydroxy-17-iodomethyl-8,13-labdadien-16,15-olid-19-oic acid methyl ester isomer 17-Hydroxy-17-iodomethyl-8,13-labdadien-16,15-olid-19-oic acid methyl ester Methyl 6-hydroxy-6-(iodomethyl)-1,4a-dimethyl-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylate
Wiley ID 842009