Molecule

Penitrem A

AlkaPlorer ID: AK322265

Synonym: None

IUPAC Name: 21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol

Structure

SMILES: C=C(C)C1OC2CCC3(C)C4(C)C5=C6C7=C8C(=C(Cl)C=C7N5)CC(=C)C5CC(C(C)(C)OC6C4CCC3(O)C23OC3C1O)C85O

InChI: InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3

InChIKey: JDUWHZOLEDOQSR-UHFFFAOYSA-N

Reference

High-field 13C n.m.r. evidence for the formation of [1,2-13C]acetate from [2-13C]acetate during the biosynthesis of penitrem A by Penicillium crustosum

PubChem CID: 4732

CAS: 12627-35-9

LOTUS: LTS0240782

COCONUT: CNP0373973.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium crustosum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 634.2130000000005

TPSA？: 107.47

MolLogP？: 5.661700000000009

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 10

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi