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name Structure Reference Source Properties Activities Metabolism

(3S,6R,9R,12S,15R,18S,21S,27S,30S,33R)-27-ethyl-30-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-18,33-diisopropyl-1,4,7,9,12,16,22,25-octamethyl-3,6,15,21-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20

AlkaPlorer ID: AK090950

Synonym: None

IUPAC Name: (3S,6R,9R,12S,15R,18S,21S,27S,30S,33R)-27-ethyl-30-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,9,12,16,22,25-octamethyl-3,6,15,21-tetrakis(2-methylpropyl)-18,33-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]1N=C(O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N=C(O)[C@H](C)N=C(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)N=C1O

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

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InChIKey: ZSNYYEIGOZADKA-VUUGAHEUSA-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: 1188.6079999999995

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

Metabolism Information