PAEONILACTONE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H18O6
Molecular Weight	318.3212
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@](C)(O)C(=O)C[C@]1([H])[C@@H](COC(=O)C3=CC=CC=C3)C(=O)O2

InChI

InChIKey=BDKBBWGLLDEQEV-ZFRZLUBXSA-N

InChI=1S/C17H18O6/c1-17(21)8-13-11(7-14(17)18)12(16(20)23-13)9-22-15(19)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3/t11-,12-,13-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H18O6
Molecular Weight	318.3212
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:41:57 UTC 2023` Edited by `admin` on `Sat Dec 16 09:41:57 UTC 2023`
Record UNII	FS4QRR92VP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PAEONILACTONE C

Common Name

English

2,5(3H,4H)-BENZOFURANDIONE, 3-((BENZOYLOXY)METHYL)TETRAHYDRO-6-HYDROXY-6-METHYL-, (3S,3AR,6S,7AR)-

Systematic Name

English

(+)-PAEONILACTONE C

Common Name

English

(3S,3AR,6S,7AR)-3-((BENZOYLOXY)METHYL)TETRAHYDRO-6-HYDROXY-6-METHYL-2,5(3H,4H)-BENZOFURANDIONE

Systematic Name

English

PAEONILACTONE-C

Common Name

English

Code System Code Type Description

FDA UNII

FS4QRR92VP

Created by admin on Sat Dec 16 09:41:57 UTC 2023 , Edited by admin on Sat Dec 16 09:41:57 UTC 2023

PRIMARY

PUBCHEM

10471123

Created by admin on Sat Dec 16 09:41:57 UTC 2023 , Edited by admin on Sat Dec 16 09:41:57 UTC 2023

PRIMARY

CAS

98751-77-0

Created by admin on Sat Dec 16 09:41:57 UTC 2023 , Edited by admin on Sat Dec 16 09:41:57 UTC 2023

PRIMARY

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PAEONIA LACTIFLORA ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

38.7 ? 3.1% neuroprotective activity of compound against 10.0 uM H2O2-induced neurotoxicity in primary cultures of rat cortical cells.

Amount: