ASSAFOETIDNOL B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H32O7
Molecular Weight	456.5281
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=CKPWNMFJQJVNER-DVITTYBWSA-N

InChI=1S/C26H32O7/c1-14-18(13-31-17-8-6-16-7-9-21(28)33-19(16)12-17)26(5)11-10-20(32-15(2)27)25(3,4)24(26)23(30)22(14)29/h6-9,12,18,20,22-24,29-30H,1,10-11,13H2,2-5H3/t18-,20-,22-,23+,24+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H32O7
Molecular Weight	456.5281
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 22:08:35 GMT 2023` Edited by `admin` on `Fri Dec 15 22:08:35 GMT 2023`
Record UNII	18842MRL1M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASSAFOETIDNOL B

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 7-(((1R,3S,4S,4AS,6S,8AS)-6-(ACETYLOXY)DECAHYDRO-3,4-DIHYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-1-NAPHTHALENYL)METHOXY)-

Common Name

English

Code System Code Type Description

FDA UNII

18842MRL1M

Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023

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CAS

403642-11-5

Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023

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EPA CompTox

DTXSID30193353

Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023

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PUBCHEM

636584

Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023

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