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(5'R)-Kryptocapsone
SpectraBase Compound ID E2O1sXWZOlp
InChI InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t40-/m0/s1
InChIKey UUXLNVZUEHNBBR-NXAVAOKMSA-N
Mol Weight 566.9 g/mol
Molecular Formula C40H54O2
Exact Mass 566.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAidmY7PNAj
Name (5'R)-Kryptocapsone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O2
InChI InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t40-/m0/s1
InChIKey UUXLNVZUEHNBBR-NXAVAOKMSA-N
Literature Reference DOI 10.1002/hlca.19830660706
Molecular Weight 566.870 g/mol
SMILES C1C(C(=C(CC1)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C/(C)\C=C\C(=O)[C@@]1(CC(CC1(C)C)=O)C)C)C)C)(C)C
SPLASH splash10-014i-9600280000-810e545c440ec4afa85e
Source of Spectrum H-66-1957-6
Synonyms (R)-3,3,4-trimethyl-4-((2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohex-1-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl)cyclopentan-1-one
Wiley ID 1797629