Molecule

tulearin A

AlkaPlorer ID: AK065551

Synonym: None

IUPAC Name: [(3R,4R,6S,9S,10S,13E,16R,18S)-4,10-dihydroxy-3,6,16-trimethyl-18-[(1E,3E)-2-methylnona-1,3-dienyl]-2-oxo-1-oxacyclooctadec-13-en-9-yl] carbamate

Structure

SMILES: CCCCC/C=C/C(C)=C/[C@@H]1C[C@H](C)C/C=C/CC[C@H](O)[C@@H](OC(N)=O)CC[C@H](C)C[C@@H](O)[C@@H](C)C(=O)O1

InChI: InChI=1S/C31H53NO6/c1-6-7-8-9-11-14-22(2)19-26-20-23(3)15-12-10-13-16-27(33)29(38-31(32)36)18-17-24(4)21-28(34)25(5)30(35)37-26/h10-12,14,19,23-29,33-34H,6-9,13,15-18,20-21H2,1-5H3,(H2,32,36)/b12-10+,14-11+,22-19+/t23-,24+,25-,26-,27+,28-,29+/m1/s1

InChIKey: IKWWLIZHWPWWDY-HYKJIFQXSA-N

Reference

1,3-Oxazin-6-one Derivatives and Bohemamine-Type Pyrrolizidine Alkaloids from a Marine-Derived <i>Streptomyces spinoverrucosus</i>

PubChem CID: 101468443

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 535.7660000000003

TPSA？: 119.08000000000004

MolLogP？: 6.375500000000009

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi