Everolimus

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Systematic / IUPAC Name: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2-propanyl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

ID: Reference2522

Other Names: 42-O-(2-Hydroxy)ethyl rapamycin;
Afinitor;
Certican;
Zortress

Formula: C53H83NO14

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines

Spectral Data

Everolimus 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 Q Exactive HF Orbitrap
No. of Spectral Trees 1
No. of Spectra 67
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/25/2015 3:29:05 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35+,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
InChI Key HKVAMNSJSFKALM-JRCHKHJVSA-N
Canonical SMILES CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC
CAS 159351696
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Other Names 42-O-(2-Hydroxy)ethyl rapamycin;
Afinitor;
Certican;
Zortress

In Other Databases

ChemSpider 24747214
PubChem 46930999
Wikipedia Everolimus