Navigation

name Structure Reference Source Properties Activities Metabolism

(3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-15,30-diisopropyl-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,2

AlkaPlorer ID: AK022528

Synonym: None

IUPAC Name: (3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-15,30-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

Structure

SMILES: C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(O)=N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(=O)N1C

copy

InChI: InChI=1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-56(79)64-42(25-2)58(81)67(18)32-47(73)68(19)43(28-33(3)4)54(77)65-48(37(11)12)60(83)70(21)44(29-34(5)6)53(76)62-40(16)52(75)63-41(17)57(80)71(22)46(31-36(9)10)59(82)69(20)45(30-35(7)8)55(78)66-49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,79)(H,65,77)(H,66,78)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1

copy

InChIKey: SYXYUKMELXLDBD-WKHWYDSQSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Trichoderma polysporum Trichoderma Hypocreaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1188.6079999999993

TPSA？: 305.04

MolLogP？: 7.128300000000021

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None ADMET permeability 0.42 10^-6 cm/s 10.1021/acs.jmedchem.1c00580

Metabolism Information