RUBRATOXIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H30O11
Molecular Weight	518.5098
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC[C@@H](O)[C@H]1[C@@H](O)C2=C(C[C@H](CC3=C1C(=O)OC3=O)[C@H](O)[C@@H]4CC=CC(=O)O4)C(=O)OC2=O

InChI

InChIKey=ZJTBTDVZNGBSNG-RETZLTROSA-N

InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H30O11
Molecular Weight	518.5098
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Rubratoxin B induces signs of fatty acid oxidation disorders (FAODs) in mice.	2011-10-10	21835235

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:50:01 GMT 2025` Edited by `admin` on `Mon Mar 31 21:50:01 GMT 2025`
Record UNII	J38U4758MY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-126729

Preferred Name

English

RUBRATOXIN B

Common Name

English

1H-CYCLONONA(1,2-C:5,6-C')DIFURAN-1,3,6,8(4H)-TETRONE, 10- ((3,6-DIHYDRO-6-OXO-2H-PYRAN-2-YL)HYDROXYMETHYL)-5,9,10,11- TETRAHYDRO-4-HYDROXY-5-(1-HYDROXYHEPTYL)-

Systematic Name

English

1,5-CYCLONONADIENE-1,2,5,6-TETRACARBOXYLIC 1,2:5,6-DIANHYDRIDE, 8-((3,6-DIHYDRO-6-OXO-2H-PYRAN-2-YL)HYDROXYMETHYL)-3-HYDROXY-4-(1-HYDROXYHEPTYL)-

Systematic Name

English

RUBRATOXIN B [HSDB]

Common Name

English

1H-CYCLONONA(1,2-C:5,6-C')DIFURAN-1,3,6,8(4H)-TETRONE, 10-((R)-((2R)-3,6-DIHYDRO-6-OXO-2H-PYRAN-2-YL)HYDROXYMETHYL)-5,9,10,11-TETRAHYDRO-4-HYDROXY-5-((1S)-1-HYDROXYHEPTYL)-, (4S,5R,10R)-REL-(+)-

Systematic Name

English

10-((3,6-DIHYDRO-6-OXO-2H- PYRAN-2-YL)HYDROXYMETHYL)-5,9,10,11-TETRAHYDRO-4-HYDROXY-5- (1-HYDROXYHEPTYL)-1H-CYCLONONA(1,2-C:5,6-C')DIFURAN- 1,3,6,8(4H)-TETRONE, (4R*,5S*(R*),10S*(S*(S*)))-(+)-

Systematic Name

English

1H-CYCLONONA(1,2-C:5,6-C')DIFURAN-1,3,6,8(4H)-TETRONE, 10-((3,6-DIHYDRO-6-OXO-2H-PYRAN-2-YL)HYDROXYMETHYL)-5,9,10,11-TETRAHYDRO-4-HYDROXY-5-(1-HYDROXYHEPTYL)-, (4R*,5S*(R*),10S*(S*(S*)))-(+)-

Systematic Name

English

Code System Code Type Description

CAS

21794-01-4