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name Structure Reference Source Properties Activities Metabolism

(3R,6R,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-3,21,24-triisopropyl-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23

AlkaPlorer ID: AK078197

Synonym: None

IUPAC Name: (3R,6R,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(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@@H](C(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)[C@H](C(C)C)C(=O)N1C

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InChI: InChI=1S/C60H107N11O12/c1-24-26-27-38(15)50(73)49-54(77)63-41(25-2)56(79)66(18)31-45(72)64-46(35(9)10)53(76)65-47(36(11)12)59(82)67(19)42(28-32(3)4)52(75)61-39(16)51(74)62-40(17)55(78)68(20)43(29-33(5)6)57(80)69(21)44(30-34(7)8)58(81)70(22)48(37(13)14)60(83)71(49)23/h24,26,32-44,46-50,73H,25,27-31H2,1-23H3,(H,61,75)(H,62,74)(H,63,77)(H,64,72)(H,65,76)/b26-24+/t38-,39+,40-,41+,42+,43+,44-,46+,47+,48-,49+,50-/m1/s1

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InChIKey: SIIGJNLDNYOKBQ-IRMNSTENSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Tolypocladium inflatum Tolypocladium Ophiocordycipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1174.580999999999

TPSA？: 305.04

MolLogP？: 6.73820000000002

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information