Erinacin A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O6
Molecular Weight	432.5497
Optical Activity	( + )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C2C3=CC=C(C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1)C=O

InChI

InChIKey=LPPCHLAEVDUIIW-NLLUTMDRSA-N

InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3/t18-,19+,21+,22-,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O6
Molecular Weight	432.5497
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:25:18 GMT 2025` Edited by `admin` on `Wed Apr 02 17:25:18 GMT 2025`
Record UNII	9L2H75S9XN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-Erinacin A

Preferred Name

English

Erinacin A

Common Name

English

(3aR,5aR,6S)-2,3,3a,4,5,5a,6,7-Octahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(?-D-xylopyranosyloxy)cyclohept[e]indene-8-carboxaldehyde

Systematic Name

English

Cyclohept[e]indene-8-carboxaldehyde, 2,3,3a,4,5,5a,6,7-octahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(?-D-xylopyranosyloxy)-, (3aR,5aR,6S)-

Systematic Name

English

Code System Code Type Description

CAS

156101-08-5

Created by admin on Wed Apr 02 17:25:18 GMT 2025 , Edited by admin on Wed Apr 02 17:25:18 GMT 2025

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PUBCHEM

10410568

Created by admin on Wed Apr 02 17:25:18 GMT 2025 , Edited by admin on Wed Apr 02 17:25:18 GMT 2025

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FDA UNII

9L2H75S9XN

Created by admin on Wed Apr 02 17:25:18 GMT 2025 , Edited by admin on Wed Apr 02 17:25:18 GMT 2025

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EPA CompTox

DTXSID401047673

Created by admin on Wed Apr 02 17:25:18 GMT 2025 , Edited by admin on Wed Apr 02 17:25:18 GMT 2025

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