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name Structure Reference Source Properties Activities Metabolism

(3S,6R,9R,12S,15S,18S,21S,27S,30S,33S)-30-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-27-[(1R)-1-hydroxyethyl]-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

AlkaPlorer ID: AK002956

Synonym: None

IUPAC Name: (3S,6R,9R,12S,15S,18S,21S,27S,30S,33S)-27-[(1R)-1-hydroxyethyl]-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]([C@@H](C)O)N=C1O

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InChI: InChI=1S/C61H109N11O13/c1-24-25-26-38(14)51(75)49-55(79)65-48(41(17)73)60(84)67(18)31-46(74)68(19)42(27-32(2)3)54(78)64-47(36(10)11)61(85)69(20)43(28-33(4)5)53(77)62-39(15)52(76)63-40(16)57(81)70(21)44(29-34(6)7)58(82)71(22)45(30-35(8)9)59(83)72(23)50(37(12)13)56(80)66-49/h24-25,32-45,47-51,73,75H,26-31H2,1-23H3,(H,62,77)(H,63,76)(H,64,78)(H,65,79)(H,66,80)/b25-24+/t38-,39+,40-,41-,42+,43+,44-,45+,47+,48+,49+,50+,51-/m1/s1

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InChIKey: TZCUXJXFGWPMBF-QPVNXMOFSA-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: 1204.6069999999995

TPSA？: 325.27000000000004

MolLogP？: 6.09910000000002

Number of H-Donors: 7

Number of H-Acceptors: 13

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information