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(1S,2R,4aR,7S,8aR)-7-(Formyloxy)-octahydro-.beta.,1,2,4a,5-pentamethylnaphthalene-1-pentanoic Acid
SpectraBase Compound ID 3t9wexxe7lk
InChI InChI=1S/C21H34O4/c1-14(10-19(23)24)6-8-20(4)15(2)7-9-21(5)16(3)11-17(25-13-22)12-18(20)21/h11,13-15,17-18H,6-10,12H2,1-5H3,(H,23,24)/t14?,15-,17-,18-,20+,21+/m1/s1
InChIKey VXSGTONZSZIHQH-HVRBMFOSSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yOT52bXjB0
Name (1S,2R,4aR,7S,8aR)-7-(Formyloxy)-octahydro-.beta.,1,2,4a,5-pentamethylnaphthalene-1-pentanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-14(10-19(23)24)6-8-20(4)15(2)7-9-21(5)16(3)11-17(25-13-22)12-18(20)21/h11,13-15,17-18H,6-10,12H2,1-5H3,(H,23,24)/t14?,15-,17-,18-,20+,21+/m1/s1
InChIKey VXSGTONZSZIHQH-HVRBMFOSSA-N
Molecular Weight 350.499 g/mol
SMILES OC(CC(CC[C@@]1([C@@]2([C@](C(=C[C@@](OC=O)(C2)[H])C)(CC[C@]1(C)[H])C)[H])C)C)=O
SPLASH splash10-0a4r-5912000000-a99f01d9d10774bfa5b3
Source of Spectrum H-86-3192-5
Synonyms 2.beta.-(formyloxy)-clerod-3-en-15-oic acid 5-[(1S,2R,4aR,7S,8aR)-7-(formyloxy)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic acid 7-(Formyloxy)-octahydro-.beta.,1,2,4,5-pentamethylnaphthalene-1-pentanoic Acid
Wiley ID 1525668