ASSAFOETIDNOL A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30O5
Molecular Weight	398.492
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](O)CC(=C)[C@H](COC3=CC4=C(C=CC(=O)O4)C=C3)[C@]1(C)CC[C@@H](O)C2(C)C

InChI

InChIKey=DPUIHKUQXKLJMN-AVPXBJHFSA-N

InChI=1S/C24H30O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,12,17-18,20,22,25-26H,1,9-11,13H2,2-4H3/t17-,18+,20+,22+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30O5
Molecular Weight	398.492
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:38:57 GMT 2023` Edited by `admin` on `Fri Dec 15 20:38:57 GMT 2023`
Record UNII	360517WD50
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASSAFOETIDNOL A

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 7-(((1S,4R,4AS,6R,8AS)-DECAHYDRO-4,6-DIHYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-1-NAPHTHALENYL)METHOXY)-

Common Name

English

Code System Code Type Description

PUBCHEM

12041593

Created by admin on Fri Dec 15 20:38:57 GMT 2023 , Edited by admin on Fri Dec 15 20:38:57 GMT 2023

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CAS

403642-10-4

Created by admin on Fri Dec 15 20:38:57 GMT 2023 , Edited by admin on Fri Dec 15 20:38:57 GMT 2023

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FDA UNII

360517WD50

Created by admin on Fri Dec 15 20:38:57 GMT 2023 , Edited by admin on Fri Dec 15 20:38:57 GMT 2023

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EPA CompTox

DTXSID70193352

Created by admin on Fri Dec 15 20:38:57 GMT 2023 , Edited by admin on Fri Dec 15 20:38:57 GMT 2023

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