Spectinomycin

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Systematic / IUPAC Name: (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one

ID: Reference6230

Other Names: Actinospectacin;
Prospec;
Spectam;
Spectogard;
Stanilo ; more

Formula: C14H24N2O7

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Spectinomycin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 903
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/19/2017 9:29:48 AM
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Identificators

InChI InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChI Key UNFWWIHTNXNPBV-WXKVUWSESA-N
Canonical SMILES CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O
CAS
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Other Names Actinospectacin;
Prospec;
Spectam;
Spectogard;
Stanilo;
4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-;
SCM

In Other Databases

DrugBank DB00919
ChemSpider 14785
PubChem 15541
KEGG C02078; D08526
HMDb HMDB15055
ChemIDPlus 001695778
Wikipedia Spectinomycin
ChEBI CHEBI:9215
ChEMBL CHEMBL1167