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

*Links on SpectraBase are not permalinks.

Methyl (8E,13E)-ent-17-bromolabda-8(17),13-dien-15-oate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Methyl (8E,13E)-ent-17-bromolabda-8(17),13-dien-15-oate
SpectraBase Compound ID FLZfMNb5K4z
InChI InChI=1S/C21H33BrO2/c1-15(13-19(23)24-5)7-9-17-16(14-22)8-10-18-20(2,3)11-6-12-21(17,18)4/h13-14,17-18H,6-12H2,1-5H3/b15-13+,16-14+/t17-,18-,21+/m0/s1
InChIKey BCTCJVJLZDIPPR-BJITYXFJSA-N
Mol Weight 397.4 g/mol
Molecular Formula C21H33BrO2
Exact Mass 396.166393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9eCNCUuftNC
Name Methyl (8E,13E)-ent-17-bromolabda-8(17),13-dien-15-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.166393301 u
Formula C21H33BrO2
InChI InChI=1S/C21H33BrO2/c1-15(13-19(23)24-5)7-9-17-16(14-22)8-10-18-20(2,3)11-6-12-21(17,18)4/h13-14,17-18H,6-12H2,1-5H3/b15-13+,16-14+/t17-,18-,21+/m0/s1
InChIKey BCTCJVJLZDIPPR-BJITYXFJSA-N
Molecular Weight 397.397 g/mol
SMILES [C@@]12([C@](C(C)(C)CCC2)(CC\C([C@@]1(CC\C(=C\C(=O)OC)C)[H])=C/Br)[H])C