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2,6-Naphthalenediol, 1,2,3,4,6,7,8,8a-octahydro-1-(2-hydroxy-1-methylethyl)-8,8a-dimethyl- , 2-acetate, [1R-[1.alpha.(R*),2.alpha.,6.beta.,8.beta.,8a.beta.]]-
SpectraBase Compound ID GsRxHcq2lvs
InChI InChI=1S/C17H28O4/c1-10(9-18)16-15(21-12(3)19)6-5-13-8-14(20)7-11(2)17(13,16)4/h8,10-11,14-16,18,20H,5-7,9H2,1-4H3/t10?,11-,14+,15-,16-,17+/m0/s1
InChIKey QKBIPANQPNRULO-METNBQJISA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Xa2ibwDtQV
Name 2,6-Naphthalenediol, 1,2,3,4,6,7,8,8a-octahydro-1-(2-hydroxy-1-methylethyl)-8,8a-dimethyl- , 2-acetate, [1R-[1.alpha.(R*),2.alpha.,6.beta.,8.beta.,8a.beta.]]-
Alternate Name(s) (1R,2S,6R,8S,8aS)-6-hydroxy-1-[(1S)-2-hydroxy-1-methylethyl]-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl acetate (2R,7S,11R)-7-acetoxy-nardosin-1(10)-ene-2,12-diol
CAS Registry Number 77160-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-10(9-18)16-15(21-12(3)19)6-5-13-8-14(20)7-11(2)17(13,16)4/h8,10-11,14-16,18,20H,5-7,9H2,1-4H3/t10?,11-,14+,15-,16-,17+/m0/s1
InChIKey QKBIPANQPNRULO-METNBQJISA-N
Molecular Weight 296.407 g/mol
SMILES O[C@]1(C=C2[C@]([C@@](C(CO)C)([C@](CC2)(OC(=O)C)[H])[H])([C@](C1)(C)[H])C)[H]
SPLASH splash10-05dr-0910000000-f28a703003a00d7c6818
Source of Spectrum B-33-2744-0
Wiley ID 1299176