Molecule

(1R,7S,9S,14R,15R)-9-hydroxy-7-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

AlkaPlorer ID: AK089858

Synonym: None

IUPAC Name: (1R,3E,7S,9S,10E,12E,14R,15R)-9-hydroxy-7-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

Structure

SMILES: CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)/C(C)=C/C=C/[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2)=C\C1=COC(C)=N1

InChI: InChI=1S/C34H45NO7/c1-21(16-28-20-40-26(6)35-28)10-7-13-24(4)34(39)25(5)31-19-29(36)22(2)11-8-12-23(3)30-17-27(18-33(38)41-30)14-9-15-32(37)42-31/h7-13,15-16,20,23,25,27,29-31,34,36,39H,14,17-19H2,1-6H3/b10-7+,12-8+,15-9+,21-16+,22-11+,24-13+/t23-,25+,27-,29+,30-,31+,34+/m1/s1

InChIKey: UXYQQJKWJBNEES-JYSWVGJWSA-N

Reference

Studies on macrocyclic lactone antibiotics. IX. Novel macrolides from the fungus Rhizopus chinensis: Precursors of rhizoxin.

PubChem CID: 23259246

LOTUS: LTS0208720

SuperNatural Ⅲ: SN0383099-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhizopus microsporus	Rhizopus	Rhizopodaceae	Mucorales	Mucoromycetes	Mucoromycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 579.7340000000003

TPSA？: 119.09000000000002

MolLogP？: 5.968920000000007

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi