32-Hydroxymycalolide
AlkaPlorer ID: AK005690
Synonym: '32-Hydroxymycalolide A'
IUPAC Name: N-[(E,3R,4S,5R,9S,10R)-4-hydroxy-11-[(10S,11R,13Z,16R,20S,21S,22R,24Z)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethyl-6-oxoundec-1-enyl]-N-methylformamide
Structure
SMILES: CO[C@@H]1C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C\C[C@@H](OC)[C@H](C)[C@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/N(C)C=O)OC(=O)C[C@H](O)C/C=C\C(=O)[C@@H]1C
InChI: InChI=1S/C45H62N4O13/c1-26(16-17-36(53)28(3)42(55)27(2)18-19-49(6)25-50)38(57-8)21-39-30(5)37(56-7)14-11-15-40-46-33(23-59-40)44-48-34(24-61-44)45-47-32(22-60-45)43(58-9)29(4)35(52)13-10-12-31(51)20-41(54)62-39/h10-11,13,15,18-19,22-31,37-39,42-43,51,55H,12,14,16-17,20-21H2,1-9H3/b13-10-,15-11-,19-18+/t26-,27+,28-,29-,30-,31+,37+,38+,39-,42-,43-/m0/s1
InChIKey: PNKMHEIEQKNTNH-ORJDMJQDSA-N
Reference
New Mycalolides from the Marine Sponge <i>Mycale magellanica </i>and Their Interconversion
PubChem CID: 163194546
LOTUS: LTS0105155
Source
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Properties Information
Molecule Weight: 867.0060000000002
TPSA？: 226.99
MolLogP？: 6.179900000000008
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 4
Activities Information
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