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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK056996

Synonym: None

IUPAC Name: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-15,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,19,25,28-octamethyl-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: 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](CC)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/C63H113N11O12/c1-25-28-29-41(16)53(76)52-57(80)66-44(27-3)59(82)68(18)34-49(75)69(19)45(30-35(4)5)56(79)67-50(39(12)13)62(85)70(20)46(31-36(6)7)55(78)65-43(26-2)54(77)64-42(17)58(81)71(21)47(32-37(8)9)60(83)72(22)48(33-38(10)11)61(84)73(23)51(40(14)15)63(86)74(52)24/h25,28,35-48,50-53,76H,26-27,29-34H2,1-24H3,(H,64,77)(H,65,78)(H,66,80)(H,67,79)/b28-25+/t41-,42-,43+,44+,45+,46+,47+,48+,50+,51-,52+,53-/m1/s1

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InChIKey: RVYSEKGVPXFKBH-GCTDNXEQSA-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: 1216.661999999999

TPSA？: 292.76

MolLogP？: 7.020300000000022

Number of H-Donors: 5

Number of H-Acceptors: 12

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information