(2S,3S,4S,5R,6S)-6-((2E,4E,6Z,8E)-3,7-DIMETHYL-8-TETRALIN-1-YLIDENE-OCTA-2,4,6-TRIENOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H30O8
Molecular Weight	470.5116
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-((2E,4E,6Z,8E)-3,7-DIMETHYL-8-TETRALIN-1-YLIDENE-OCTA-2,4,6-TRIENOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CC(/C=C/C=C(C)\C=C1/CCCC2=C1C=CC=C2)=C\C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=PUBIJJJQJPLUSG-ODQFYRHDSA-N

InChI=1S/C26H30O8/c1-15(13-18-11-6-10-17-9-3-4-12-19(17)18)7-5-8-16(2)14-20(27)33-26-23(30)21(28)22(29)24(34-26)25(31)32/h3-5,7-9,12-14,21-24,26,28-30H,6,10-11H2,1-2H3,(H,31,32)/b8-5+,15-7-,16-14+,18-13+/t21-,22-,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H30O8
Molecular Weight	470.5116
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:50:14 UTC 2023` Edited by `admin` on `Sat Dec 16 15:50:14 UTC 2023`
Record UNII	N724YG8R3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-6-((2E,4E,6Z,8E)-3,7-DIMETHYL-8-TETRALIN-1-YLIDENE-OCTA-2,4,6-TRIENOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

N724YG8R3G

Created by admin on Sat Dec 16 15:50:14 UTC 2023 , Edited by admin on Sat Dec 16 15:50:14 UTC 2023

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PUBCHEM

156596710

Created by admin on Sat Dec 16 15:50:14 UTC 2023 , Edited by admin on Sat Dec 16 15:50:14 UTC 2023

PRIMARY

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