ARCTIGNAN E

Details

Stereochemistry	UNKNOWN
Molecular Formula	C40H44O13
Molecular Weight	732.7696
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]4(CC1=CC2=C(O[C@@H]([C@H]2CO)C3=CC(OC)=C(O)C=C3)C(OC)=C1)COC(=O)[C@]4([H])CC5=CC(C(CO)C(O)C6=CC=C(O)C(OC)=C6)=C(O)C(OC)=C5

InChI

InChIKey=BQAUNBCJFDCZFB-FGEPHIOBSA-N

InChI=1S/C40H44O13/c1-48-32-15-22(5-7-30(32)43)36(45)28(17-41)26-11-21(13-34(50-3)37(26)46)10-25-24(19-52-40(25)47)9-20-12-27-29(18-42)38(53-39(27)35(14-20)51-4)23-6-8-31(44)33(16-23)49-2/h5-8,11-16,24-25,28-29,36,38,41-46H,9-10,17-19H2,1-4H3/t24-,25+,28?,29-,36?,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H44O13
Molecular Weight	732.7696
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	4 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:43 UTC 2023` Edited by `admin` on `Sat Dec 16 11:00:43 UTC 2023`
Record UNII	98Y1GGN1XX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARCTIGNAN E

Common Name

English

2(3H)-FURANONE, 4-(((2S,3R)-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANYL)METHYL)DIHYDRO-3-((4-HYDROXY-3-(2-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-1-(HYDROXYMETHYL)ETHYL)-5-METHOXYPHENYL)METHYL)-, (3S,4R)-

Systematic Name

English

Code System Code Type Description

CAS

155661-12-4

Created by admin on Sat Dec 16 11:00:43 UTC 2023 , Edited by admin on Sat Dec 16 11:00:43 UTC 2023

PRIMARY

PUBCHEM

73425494

Created by admin on Sat Dec 16 11:00:43 UTC 2023 , Edited by admin on Sat Dec 16 11:00:43 UTC 2023

PRIMARY

FDA UNII

98Y1GGN1XX

Created by admin on Sat Dec 16 11:00:43 UTC 2023 , Edited by admin on Sat Dec 16 11:00:43 UTC 2023

PRIMARY

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