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

*Links on SpectraBase are not permalinks.
5,6,13,14-Tetrahydro-15-methyl-13-thiaprostacyclin - Methyl Ester
SpectraBase Compound ID 3815VSLSDh1
InChI InChI=1S/C21H38O5S/c1-4-5-8-11-21(2,24)14-27-20-16-12-15(26-18(16)13-17(20)22)9-6-7-10-19(23)25-3/h15-18,20,22,24H,4-14H2,1-3H3/t15-,16?,17+,18?,20+,21-/m0/s1
InChIKey NGVKYAFZCJIXMS-XJUVMLBSSA-N
Mol Weight 402.6 g/mol
Molecular Formula C21H38O5S
Exact Mass 402.243995 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 ySnRQwcL7Z
Name 5,6,13,14-Tetrahydro-15-methyl-13-thiaprostacyclin - Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O5S
InChI InChI=1S/C21H38O5S/c1-4-5-8-11-21(2,24)14-27-20-16-12-15(26-18(16)13-17(20)22)9-6-7-10-19(23)25-3/h15-18,20,22,24H,4-14H2,1-3H3/t15-,16?,17+,18?,20+,21-/m0/s1
InChIKey NGVKYAFZCJIXMS-XJUVMLBSSA-N
Molecular Weight 402.590 g/mol
SMILES O[C@](CS[C@]1([C@@](CC2C1C[C@@](O2)(CCCCC(=O)OC)[H])(O)[H])[H])(CCCCC)C
SPLASH splash10-0a4i-1930000000-c0d84710bc5ed06b1d78
Source of Spectrum F2-113-127-16
Wiley ID 1549601