For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,8-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-4,4,8a-trimethyl-6-(phenylthio)-, diacetate, (1.alpha.,4a.beta.,8.alpha.,8a.alpha.)-

View entire compound with spectra: 1 MS (GC)

1,8-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-4,4,8a-trimethyl-6-(phenylthio)-, diacetate, (1.alpha.,4a.beta.,8.alpha.,8a.alpha.)-
SpectraBase Compound ID FZIQOHIsjmz
InChI InChI=1S/C23H30O4S/c1-15(24)26-20-11-12-22(3,4)19-13-18(28-17-9-7-6-8-10-17)14-21(23(19,20)5)27-16(2)25/h6-10,14,19-21H,11-13H2,1-5H3/t19-,20+,21-,23+/m0/s1
InChIKey YOIJBIWFBASHFG-OQLXKQOESA-N
Mol Weight 402.55 g/mol
Molecular Formula C23H30O4S
Exact Mass 402.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C3ojZTosPfT
Name 1,8-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-4,4,8a-trimethyl-6-(phenylthio)-, diacetate, (1.alpha.,4a.beta.,8.alpha.,8a.alpha.)-
CAS Registry Number 130385-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O4S
InChI InChI=1S/C23H30O4S/c1-15(24)26-20-11-12-22(3,4)19-13-18(28-17-9-7-6-8-10-17)14-21(23(19,20)5)27-16(2)25/h6-10,14,19-21H,11-13H2,1-5H3/t19-,20+,21-,23+/m0/s1
InChIKey YOIJBIWFBASHFG-OQLXKQOESA-N
Molecular Weight 402.549 g/mol
SMILES [C@@]12([C@](C(C)(C)CC[C@]2(OC(=O)C)[H])(CC(=C[C@@]1(OC(=O)C)[H])Sc1ccccc1)[H])C
SPLASH splash10-0006-9401000000-6bd06f84ccd09e01badb
Source of Spectrum I-68-1177-32
Synonyms (1R,4aS,8S,8aR)-8-(acetyloxy)-4,4,8a-trimethyl-6-(phenylsulfanyl)-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenyl acetate trans-3-phenylthio-5,6,4a,8a,7,8-hexahydro-5,5,8a-trimethyl-1.beta.,8.beta.-diacetoxy-(1H,4H)naphthalene
Wiley ID 1370407