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2,5-Cyclohexadiene-1,4-dione, 5-amino-3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-2-hydroxy-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-

View entire compound with spectra: 2 MS (GC)

2,5-Cyclohexadiene-1,4-dione, 5-amino-3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-2-hydroxy-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID Gw13VFCnzCB
InChI InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1
InChIKey LTNUWWZNTOSEML-NUATZEMDSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jx9iuYaTEux
Name 2,5-Cyclohexadiene-1,4-dione, 5-amino-3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-2-hydroxy-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
CAS Registry Number 113021-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1
InChIKey LTNUWWZNTOSEML-NUATZEMDSA-N
Molecular Weight 343.467 g/mol
SMILES NC=1C(C(=C(C(C1)=O)O)C[C@]1([C@]2([C@](C(=C)CCC2)(C)CC[C@@]1(C)[H])[H])C)=O
SPLASH splash10-0udj-4900000000-2ab887b2588858625d6b
Source of Spectrum F-48-6676-7
Synonyms Smenospongine 2,5-Cyclohexadiene-1,4-dione, 5-amino-3-(((1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl)-2-hydroxy 3-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-5-azanyl-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione 5-Amino-2-hydroxy-3-((1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decahydro-naphthalen-1-yl)methyl-[1,4]benzoquinone 3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-5-amino-2-hydroxybenzo-1,4-quinone c-1,2-dimethyl-4-methylene-t-1-(6-amino-p-benzoquinone-2-)methyl-trans-decalin 5-Amino-3-[(1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-2-hydroxycyclohexa-2,5-diene-1,4-dione 5-Amino-3-[(1,2,4a-trimethyl-5-methylene-decalin-1-yl)methyl]-2-hydroxy-1,4-benzoquinone 5-Amino-3-[(1,2,4a-trimethyl-5-methylene-decalin-1-yl)methyl]-2-hydroxy-benzoquinone 5-Amino-3-[(1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl)methyl]-2-hydroxybenzo-1,4-quinone 5-Amino-3-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-2-hydroxycyclohexa-2,5-diene-1,4-dione
Wiley ID 1337413