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2-Butenoic acid, 2-methyl-, 5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-2-naphthalenyl ester, [1S-[1.alpha.,2.beta.(Z),4a.beta.,5.beta.,8a.a lpha.]]-
SpectraBase Compound ID 8r52r4t5cRu
InChI InChI=1S/C25H36O5/c1-6-7-21(27)30-25(5)13-12-23(3)19(10-9-18-14-22(28)29-15-18)17(2)8-11-20(23)24(25,4)16-26/h6-7,14,19-20,26H,2,8-13,15-16H2,1,3-5H3/b7-6-/t19-,20+,23+,24+,25+/m0/s1
InChIKey KHWQQTZZVUKPPT-NFRKSJQGSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wiI9gJoyuv
Name 2-Butenoic acid, 2-methyl-, 5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-2-naphthalenyl ester, [1S-[1.alpha.,2.beta.(Z),4a.beta.,5.beta.,8a.a lpha.]]-
CAS Registry Number 99624-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-6-7-21(27)30-25(5)13-12-23(3)19(10-9-18-14-22(28)29-15-18)17(2)8-11-20(23)24(25,4)16-26/h6-7,14,19-20,26H,2,8-13,15-16H2,1,3-5H3/b7-6-/t19-,20+,23+,24+,25+/m0/s1
InChIKey KHWQQTZZVUKPPT-NFRKSJQGSA-N
Molecular Weight 416.558 g/mol
SMILES OC[C@@]1([C@]2([C@@]([C@](C(CC2)=C)(CCC2=CC(=O)OC2)[H])(CC[C@]1(OC(\C=C/C)=O)C)C)[H])C
SPLASH splash10-0a5i-6090000000-791d10228f619905f967
Source of Spectrum F-41-4541-5
Synonyms (1S,2R,4aR,5S,8aR)-1-(hydroxymethyl)-1,2,4a-trimethyl-6-methylene-5-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-2-naphthalenyl (2Z)-2-butenoate 3.alpha.-angeloyloxy-18-hydroxy-ent-labd-8(17),13-dien-15,16-olide
Wiley ID 1376500