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(6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1s,3R,5S,7s)-adamantan-1-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide
SpectraBase Compound ID DNcJUBf41GS
InChI InChI=1S/C26H35NO4/c1-25(2)20-4-3-18(28)10-19(20)23-21(29)8-17(9-22(23)31-25)24(30)27-26-11-14-5-15(12-26)7-16(6-14)13-26/h8-9,14-16,18-20,28-29H,3-7,10-13H2,1-2H3,(H,27,30)/t14?,15?,16?,18-,19-,20-,26?/m1/s1
InChIKey OSQRZXJNNIYCQD-FVTWXQEKSA-N
Mol Weight 425.6 g/mol
Molecular Formula C26H35NO4
Exact Mass 425.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6i8ggjmMy7k
Name (6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-N-[(1s,3R,5S,7s)-adamantan-1-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO4
InChI InChI=1S/C26H35NO4/c1-25(2)20-4-3-18(28)10-19(20)23-21(29)8-17(9-22(23)31-25)24(30)27-26-11-14-5-15(12-26)7-16(6-14)13-26/h8-9,14-16,18-20,28-29H,3-7,10-13H2,1-2H3,(H,27,30)/t14?,15?,16?,18-,19-,20-,26?/m1/s1
InChIKey OSQRZXJNNIYCQD-FVTWXQEKSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 425.569 g/mol
Optical Rotation [a]D23 = -41.6o (c = 0.008, MeOH)
SMILES N(C12CC3CC(CC(C3)C1)C2)C(c1cc2OC([C@@]3(CC[C@](C[C@]3(c2c(c1)O)[H])(O)[H])[H])(C)C)=O
SPLASH splash10-053r-9510000000-2e34a38b6e2427316e74
Source of Spectrum AF-53-SM9-8
Wiley ID 1846205