(3'S,6'S,12'R,15'R,18'R,21'R,24'R,28'S,29'aS)-15'-[(2S)-3-hydroxy-2-methylpropyl]-21'-[(1S)-1-hydroxyethyl]-18',24'-diisopropyl-2',3',14',17',28'-pentamethyl-6',12'-bis(2-methylpropyl)-dodecahydro-3'H-spiro[cyclopropane-1,9'-pyrrolo[2,1-l]1,7,16-trioxa-4,
AlkaPlorer ID: AK071453
Synonym: None
IUPAC Name: (3R,6R,9R,12R,15R,21S,24S,27S,29S)-6-[(1S)-1-hydroxyethyl]-12-[(2S)-3-hydroxy-2-methylpropyl]-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone
Structure
SMILES: CC(C)C[C@@H]1OC(=O)[C@H](C)N(C)C(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@@H](C(C)C)OC(=O)[C@@H]([C@H](C)O)N=C(O)[C@@H](C(C)C)N(C)C(=O)[C@@H](C[C@H](C)CO)N(C)C(=O)[C@@H](CC(C)C)OC(=O)C2(CC2)N=C1O
InChI: InChI=1S/C48H80N6O14/c1-24(2)18-34-39(57)50-48(16-17-48)47(65)67-35(19-25(3)4)43(61)52(14)32(21-29(10)23-55)41(59)53(15)37(26(5)6)40(58)49-36(31(12)56)46(64)68-38(27(7)8)44(62)54-22-28(9)20-33(54)42(60)51(13)30(11)45(63)66-34/h24-38,55-56H,16-23H2,1-15H3,(H,49,58)(H,50,57)/t28-,29-,30-,31-,32+,33-,34-,35+,36+,37+,38+/m0/s1
InChIKey: ICIFUYNGGQZJIK-NSCNWYIISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bipolaris zeicola | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 965.1959999999996
TPSA？: 265.78
MolLogP？: 3.091000000000012
Number of H-Donors: 4
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|