VELLERAL

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O2
Molecular Weight	232.3181
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VELLERAL

Structure Search

SMILES

C[C@H]1C=C(C=O)C(C=O)=C[C@@H]2CC(C)(C)C[C@H]12

InChI

InChIKey=GUAUUIHVMRMGCT-MISXGVKJSA-N

InChI=1S/C15H20O2/c1-10-4-12(8-16)13(9-17)5-11-6-15(2,3)7-14(10)11/h4-5,8-11,14H,6-7H2,1-3H3/t10-,11+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O2
Molecular Weight	232.3181
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 21:32:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:19 GMT 2025`
Record UNII	MS9HB5PQ54
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-Vellearal

Preferred Name

English

VELLERAL

Common Name

English

5,6-Azulenedicarboxaldehyde, 1,2,3,3a,8,8a-hexahydro-2,2,8-trimethyl-, (3aR,8R,8aR)-

Systematic Name

English

(3aR,8R,8aR)-1,2,3,3a,8,8a-Hexahydro-2,2,8-trimethyl-5,6-azulenedicarboxaldehyde

Systematic Name

English

Code System Code Type Description

PUBCHEM

14412869

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

PRIMARY

CAS

50656-61-6

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

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EPA CompTox

DTXSID20964892

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

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FDA UNII

MS9HB5PQ54

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

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WIKIPEDIA

Velleral

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

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