SQ-02-S-L1
AlkaPlorer ID: AK042723
Synonym: None
IUPAC Name: 2,6-bis[(1S,13R,14S,17S,19S)-19-acetyloxy-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-6-yl]hexanoic acid
Structure
SMILES: CC(=O)O[C@H]1CC[C@@]23OC4=C(C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C)C(O)=CC1=C4CN(CCCCC(C(=O)O)N2CC3=C4O[C@@]56CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@H](C)[C@@]6(C)CC4=C(O)C=C3C2=O)C1=O
InChI: InChI=1S/C56H74N2O12/c1-29-14-16-42-51(5,6)44(67-31(3)59)18-20-55(42)53(29,9)25-35-40(61)23-33-37(46(35)69-55)27-57(48(33)63)22-12-11-13-39(50(65)66)58-28-38-34(49(58)64)24-41(62)36-26-54(10)30(2)15-17-43-52(7,8)45(68-32(4)60)19-21-56(43,54)70-47(36)38/h23-24,29-30,39,42-45,61-62H,11-22,25-28H2,1-10H3,(H,65,66)/t29-,30-,39?,42-,43-,44-,45-,53+,54+,55-,56-/m0/s1
InChIKey: MAVPMSYXHOEOLG-CBOQOVJRSA-N
Reference
Novel Stachyflin Derivatives from Stachybotrys sp. RF-7260
PubChem CID: 10996668
LOTUS: LTS0236063
{NPAtlas: NPA015700
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stachybotrys sp. | Stachybotrys | Stachybotryaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 967.2099999999996
TPSA？: 189.44
MolLogP？: 9.288700000000002
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|