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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK050714

Synonym: None

IUPAC Name: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,12,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-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](CCC)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@@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/C62H111N11O12/c1-24-26-28-40(15)52(75)51-57(80)65-43(27-25-2)58(81)68(18)33-48(74)69(19)45(30-35(5)6)56(79)67-49(38(11)12)61(84)70(20)46(31-36(7)8)55(78)64-41(16)53(76)63-42(17)54(77)66-44(29-34(3)4)59(82)71(21)47(32-37(9)10)60(83)72(22)50(39(13)14)62(85)73(51)23/h24,26,34-47,49-52,75H,25,27-33H2,1-23H3,(H,63,76)(H,64,78)(H,65,80)(H,66,77)(H,67,79)/b26-24+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50-,51+,52-/m1/s1

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InChIKey: SPRAXCMVHXBDMZ-KLSPFGEWSA-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: 1202.634999999999

TPSA？: 305.04

MolLogP？: 7.518400000000021

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