Cyclosporin H

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Systematic / IUPAC Name: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

ID: Reference5869

Other Names: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;
12-[(4E)(1R,2R)-1-Hydroxy-2-methylhex-4-enyl](6S,12S,15S,21S,24S,27S,30S,3R,9R,33R)-9,24-bis(methylethyl)-15-ethyl-2,5,8,11,17,20,26,30,33-nonamethyl-3,6,21,27-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecaone ;
5-(N-Methyl-D-valine)-cyclosporin A;
Sandoz 37-839

Formula: C62H111N11O12

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 1:47:38 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50-,51+,52-/m1/s1
InChI Key PMATZTZNYRCHOR-JLPRAAIDSA-N
Canonical SMILES CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
CAS 83602395
Splash
Other Names (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;
12-[(4E)(1R,2R)-1-Hydroxy-2-methylhex-4-enyl](6S,12S,15S,21S,24S,27S,30S,3R,9R,33R)-9,24-bis(methylethyl)-15-ethyl-2,5,8,11,17,20,26,30,33-nonamethyl-3,6,21,27-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecaone ;
5-(N-Methyl-D-valine)-cyclosporin A;
Sandoz 37-839

In Other Databases

PubChem 6476564
ChemSpider 4978035