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

*Links on SpectraBase are not permalinks.
Carbamic acid, [(8.alpha.)-6-(2-propenyloxy)ergolin-8-yl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID CjtlqJNWUTl
InChI InChI=1S/C22H29N3O3/c1-5-9-27-25-13-15(24-21(26)28-22(2,3)4)11-17-16-7-6-8-18-20(16)14(12-23-18)10-19(17)25/h5-8,12,15,17,19,23H,1,9-11,13H2,2-4H3,(H,24,26)/t15-,17+,19+/m0/s1
InChIKey MUACALJNTYSBNS-KVSKMBFKSA-N
Mol Weight 383.49 g/mol
Molecular Formula C22H29N3O3
Exact Mass 383.220892 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 7BM60u4b9AX
Name Carbamic acid, [(8.alpha.)-6-(2-propenyloxy)ergolin-8-yl]-, 1,1-dimethylethyl ester
CAS Registry Number 107672-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N3O3
InChI InChI=1S/C22H29N3O3/c1-5-9-27-25-13-15(24-21(26)28-22(2,3)4)11-17-16-7-6-8-18-20(16)14(12-23-18)10-19(17)25/h5-8,12,15,17,19,23H,1,9-11,13H2,2-4H3,(H,24,26)/t15-,17+,19+/m0/s1
InChIKey MUACALJNTYSBNS-KVSKMBFKSA-N
Molecular Weight 383.492 g/mol
SMILES [nH]1c2c3c([C@@]4([C@](N(C[C@](C4)(NC(OC(C)(C)C)=O)[H])OCC=C)(Cc3c1)[H])[H])ccc2
SPLASH splash10-004r-0039000000-762dad635905324bd83a
Source of Spectrum H-69-248-8
Synonyms Ergoline, carbamic acid deriv. Indolo[4,3-fg]quinoline, carbamic acid deriv. (5R,8S,10R)-6-allyloxy-8-(t-butoxycarbonylamino) ergoline tert-Butyl (8alpha)-6-(allyloxy)ergolin-8-ylcarbamate
Wiley ID 1361140