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name Structure Reference Source Properties Activities Metabolism

(3S,6S,9R,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-hexyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone

AlkaPlorer ID: AK101179

Synonym: None

IUPAC Name: (3S,6S,9R,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-hexyl-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

Structure

SMILES: CCCCCC[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)[C@@H](C(C)C)C(=O)N1C

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InChI: InChI=1S/C61H111N11O11/c1-24-26-27-28-29-44-53(75)64-43(25-2)57(79)66(17)34-49(73)67(18)45(30-35(3)4)55(77)65-50(39(11)12)60(82)69(20)46(31-36(5)6)54(76)62-41(15)52(74)63-42(16)56(78)70(21)47(32-37(7)8)58(80)71(22)48(33-38(9)10)59(81)72(23)51(40(13)14)61(83)68(44)19/h35-48,50-51H,24-34H2,1-23H3,(H,62,76)(H,63,74)(H,64,75)(H,65,77)/t41-,42+,43-,44-,45-,46-,47+,48-,50-,51-/m0/s1

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InChIKey: FAOPPOYNVNUOHA-OWSOZWGWSA-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: 1174.624999999999

TPSA？: 272.53

MolLogP？: 7.63740000000002

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information