12-Oxocalanolide A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24O5
Molecular Weight	368.423
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC1=CC(=O)OC2=C1C3=C(C=CC(C)(C)O3)C4=C2C(=O)[C@H](C)[C@@H](C)O4

InChI

InChIKey=HQVBDUZROQMWRN-VXGBXAGGSA-N

InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H24O5
Molecular Weight	368.423
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:21:46 GMT 2025` Edited by `admin` on `Mon Mar 31 23:21:46 GMT 2025`
Record UNII	Z8MM7J5DWJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(+)-12-Oxocalanolide A

Preferred Name

English

12-Oxocalanolide A

Common Name

English

2H,6H,12H-Benzo[1,2-b:3,4-b?:5,6-b??]tripyran-2,12-dione, 10,11-dihydro-6,6,10,11-tetramethyl-4-propyl-, (10R,11R)-

Systematic Name

English

(10R,11R)-10,11-Dihydro-6,6,10,11-tetramethyl-4-propyl-2H,6H,12H-benzo[1,2-b:3,4-b?:5,6-b??]tripyran-2,12-dione

Systematic Name

English

12-Oxocalanolide A, (+)-

Common Name

English

Code System Code Type Description

PUBCHEM

463613

Created by admin on Mon Mar 31 23:21:46 GMT 2025 , Edited by admin on Mon Mar 31 23:21:46 GMT 2025

PRIMARY

CAS

183904-55-4

Created by admin on Mon Mar 31 23:21:46 GMT 2025 , Edited by admin on Mon Mar 31 23:21:46 GMT 2025

PRIMARY

FDA UNII

Z8MM7J5DWJ

Created by admin on Mon Mar 31 23:21:46 GMT 2025 , Edited by admin on Mon Mar 31 23:21:46 GMT 2025

PRIMARY

EPA CompTox

DTXSID70171519

Created by admin on Mon Mar 31 23:21:46 GMT 2025 , Edited by admin on Mon Mar 31 23:21:46 GMT 2025

PRIMARY