HERBOXIDIENE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H42O6
Molecular Weight	438.5974
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]([C@@H](C)O)[C@@H](C)[C@H]1O[C@]1(C)C[C@H](C)\C=C\C=C(/C)[C@H]2O[C@@H](CC(O)=O)CC[C@@H]2C

InChI

InChIKey=ISZXEMUWHQLLTC-LSIVYLFASA-N

InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H42O6
Molecular Weight	438.5974
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:19:51 GMT 2025` Edited by `admin` on `Wed Apr 02 09:19:51 GMT 2025`
Record UNII	QSB7EM5EUD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HERBOXIDIENE

Common Name

English

(+)-Herboxidiene

Preferred Name

English

L-GLYCERO-L-GLUCO-HEPTITOL, 5,6-ANHYDRO-6-C-((2S,3E,5E)-6-((2S,3S,6R)-6-(CARBOXYMETHYL)TETRAHYDRO-3-METHYL-2H-PYRAN-2-YL)-2-METHYL-3,5-HEPTADIENYL)-1,4,7-TRIDEOXY-4-METHYL-3-O-METHYL-

Systematic Name

English

2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid

Systematic Name

English

5,6-ANHYDRO-6-C-((2S,3E,5E)-6-((2S,3S,6R)-6-(CARBOXYMETHYL)TETRAHYDRO-3-METHYL-2H-PYRAN-2-YL)-2-METHYL-3,5-HEPTADIEN-1-YL)-1,4,7-TRIDEOXY-4-METHYL-3-O-METHYL-L-GLYCERO-L-GLUCO-HEPTITOL

Systematic Name

English

TAN 1609

Systematic Name

English

Code System Code Type Description

FDA UNII

QSB7EM5EUD