Psymberin, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H47NO11
Molecular Weight	609.705
Optical Activity	( + )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H](CC(C)=C)[C@H](O)C(=O)N[C@@H](OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)[C@H]2CC3=C(C)C(O)=CC(O)=C3C(=O)O2)O1

InChI

InChIKey=BNNIEBYABSNREN-CYRUSRGFSA-N

InChI=1S/C31H47NO11/c1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21/h11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38)/t16-,19+,21-,22+,23+,24-,25-,27+,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Psymberin, (+)-

Common Name

English

(+)-IRCINIASTATIN A

Preferred Name

English

5-HEXENAMIDE, N-((S)-((2S,4R,6R)-6-((2S,3R)-3-((3R)-3,4-DIHYDRO-6,8-DIHYDROXY-5-METHYL-1-OXO-1H-2-BENZOPYRAN-3-YL)-2-HYDROXYBUTYL)TETRAHYDRO-4-HYDROXY-5,5-DIMETHYL-2H-PYRAN-2-YL)METHOXYMETHYL)-2-HYDROXY-3-METHOXY-5-METHYL-, (2S,3S)-

Systematic Name

English

(+)-PSYMBERIN

Common Name

English

(2S,3S)-N-((S)-((2S,4R,6R)-6-((2S,3R)-3-((3R)-3,4-DIHYDRO-6,8-DIHYDROXY-5-METHYL-1-OXO-1H-2-BENZOPYRAN-3-YL)-2-HYDROXYBUTYL)TETRAHYDRO-4-HYDROXY-5,5-DIMETHYL-2H-PYRAN-2-YL)METHOXYMETHYL)-2-HYDROXY-3-METHOXY-5-METHYL-5-HEXENAMIDE

Systematic Name

English

(+)-IRICINIASTATIN A

Common Name

English

IRCINIASTATIN A

Common Name

English

PSYMBERIN

Common Name

English

Code System Code Type Description

WIKIPEDIA

Psymberin