XENOCLAUXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H18O11
Molecular Weight	530.4359
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@H]1[C@H]2C3=C(C(O)=C4C(=O)OC(=O)C5=C4C3=C(C)C=C5O)[C@@]16COC(=O)C7=C6C(C2=O)=C(C)C=C7O

InChI

InChIKey=YVWDXSQBVLTUFA-NKLHJNDUSA-N

InChI=1S/C28H18O11/c1-7-4-10(30)14-16-12(7)17-18-22(32)13-8(2)5-11(31)15-20(13)28(6-37-25(15)34,24(18)38-9(3)29)21(17)23(33)19(16)27(36)39-26(14)35/h4-5,18,24,30-31,33H,6H2,1-3H3/t18-,24-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H18O11
Molecular Weight	530.4359
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:59:11 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:11 GMT 2025`
Record UNII	8P2YHR7U28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(9S)-XENOCLAUXIN

Preferred Name

English

XENOCLAUXIN

Common Name

English

7H-8,15B-METHANO-1H,3H,12H-BENZO(DE)CYCLOHEPTA(1,2-G:3,4,5-D'E')BIS(2)BENZOPYRAN-3,7,12,14(8H)-TETRONE, 16-(ACETYLOXY)-4,11,15-TRIHYDROXY-6,9-DIMETHYL-, (8R,15BS,16S)-

Systematic Name

English

Code System Code Type Description

CAS

7599-61-3

Created by admin on Mon Mar 31 21:59:11 GMT 2025 , Edited by admin on Mon Mar 31 21:59:11 GMT 2025

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FDA UNII

8P2YHR7U28

Created by admin on Mon Mar 31 21:59:11 GMT 2025 , Edited by admin on Mon Mar 31 21:59:11 GMT 2025

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EPA CompTox

DTXSID80997343

Created by admin on Mon Mar 31 21:59:11 GMT 2025 , Edited by admin on Mon Mar 31 21:59:11 GMT 2025

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PUBCHEM

101286197

Created by admin on Mon Mar 31 21:59:11 GMT 2025 , Edited by admin on Mon Mar 31 21:59:11 GMT 2025

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