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

*Links on SpectraBase are not permalinks.
Naphtho[2,1-b]furan-6-carboxylic acid, 1-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,9a-dimethyl-2-oxo-, [5aR-(5a.alpha.,6.beta.,9a.beta.)]-
SpectraBase Compound ID 8OqadmTcXaq
InChI InChI=1S/C15H17BrO4/c1-14-6-3-7-15(2,13(18)19)9(14)5-4-8-10(14)11(16)12(17)20-8/h4,9H,3,5-7H2,1-2H3,(H,18,19)/t9-,14+,15+/m1/s1
InChIKey SDSZHQQTLOQVJL-NKZPBKNFSA-N
Mol Weight 341.2 g/mol
Molecular Formula C15H17BrO4
Exact Mass 340.031022 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 KI4hvP7vDHJ
Name Naphtho[2,1-b]furan-6-carboxylic acid, 1-bromo-2,5,5a,6,7,8,9,9a-octahydro-6,9a-dimethyl-2-oxo-, [5aR-(5a.alpha.,6.beta.,9a.beta.)]-
CAS Registry Number 81757-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17BrO4
InChI InChI=1S/C15H17BrO4/c1-14-6-3-7-15(2,13(18)19)9(14)5-4-8-10(14)11(16)12(17)20-8/h4,9H,3,5-7H2,1-2H3,(H,18,19)/t9-,14+,15+/m1/s1
InChIKey SDSZHQQTLOQVJL-NKZPBKNFSA-N
Molecular Weight 341.201 g/mol
SMILES OC([C@@]1([C@]2([C@@](C=3C(OC(C3Br)=O)=CC2)(CCC1)C)[H])C)=O
SPLASH splash10-00ku-0091000000-353cf2798d4f3e0178e3
Source of Spectrum B-35-192-0
Synonyms (5aR,6S,9aS)-1-bromo-6,9a-dimethyl-2-oxo-2,5,5a,6,7,8,9,9a-octahydronaphtho[2,1-b]furan-6-carboxylic acid 12,8-Lactone of 11-bromo-8-hydroxy-13,14,15,16,17-pentanorlabda-7,9(11)-diene-12,19-dioic acid
Wiley ID 1334899