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Krukovine A

View entire compound with spectra: 1 MS (GC)

Krukovine A
SpectraBase Compound ID LktIJ4vIsdE
InChI InChI=1S/C30H46O3/c1-25(2)12-14-30(18-31)15-13-28(6)19(20(30)17-25)16-21(32)24-27(5)10-9-23(33)26(3,4)22(27)8-11-29(24,28)7/h16,20,22,24,31H,8-15,17-18H2,1-7H3/t20-,22?,24-,27+,28-,29-,30-/m1/s1
InChIKey QJCHSXDOPDGBSN-KGXSHUMVSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H46O3
Exact Mass 454.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qOJJKAPYwR
Name Krukovine A
Alternate Name(s) (18alpha)-28-hydroxyolean-12-ene-3,11-dione 28-Hydroxyolean-12-ene-3,11-dione (6aR,6bS,8aS,12aR,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O3
InChI InChI=1S/C30H46O3/c1-25(2)12-14-30(18-31)15-13-28(6)19(20(30)17-25)16-21(32)24-27(5)10-9-23(33)26(3,4)22(27)8-11-29(24,28)7/h16,20,22,24,31H,8-15,17-18H2,1-7H3/t20-,22?,24-,27+,28-,29-,30-/m1/s1
InChIKey QJCHSXDOPDGBSN-KGXSHUMVSA-N
Molecular Weight 454.695 g/mol
SMILES OC[C@]12[C@@](C=3[C@]([C@@]4(CCC5[C@@]([C@]4(C(C3)=O)[H])(CCC(=O)C5(C)C)C)C)(CC1)C)(CC(CC2)(C)C)[H]
SPLASH splash10-0f77-5090600000-e044bdcb89a2caa6df46
Source of Spectrum G4-59-1074-1
Wiley ID 1606553