Kuwanon H, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C45H44O11
Molecular Weight	760.8243
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(O)C=CC(C(=O)[C@@H]2[C@H](CC(C)=C[C@H]2C3=C4OC(=C(CC=C(C)C)C(=O)C4=C(O)C=C3O)C5=C(O)C=C(O)C=C5)C6=C(O)C=C(O)C=C6)=C1O

InChI

InChIKey=DKBPTKFKCCNXNH-JMBMPLIVSA-N

InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H44O11
Molecular Weight	760.8243
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:27:26 GMT 2023` Edited by `admin` on `Sat Dec 16 19:27:26 GMT 2023`
Record UNII	8S66U66RDM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Kuwanon H, (±)-

Common Name

English

(±)-Kuwanon H

Common Name

English

4H-1-Benzopyran-4-one, 8-[(1R,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-, rel-

Systematic Name

English

4H-1-Benzopyran-4-one, 8-[6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, (1α,5α,6β)-(±)-

Systematic Name

English

4H-1-Benzopyran-4-one, 8-[6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, (1α,5α,6β)-

Systematic Name

English

rel-8-[(1R,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

Systematic Name

English

Code System Code Type Description

FDA UNII

8S66U66RDM

Created by admin on Sat Dec 16 19:27:27 GMT 2023 , Edited by admin on Sat Dec 16 19:27:27 GMT 2023

PRIMARY

CAS

79056-23-8

Created by admin on Sat Dec 16 19:27:27 GMT 2023 , Edited by admin on Sat Dec 16 19:27:27 GMT 2023

PRIMARY

PUBCHEM

23843929

Created by admin on Sat Dec 16 19:27:27 GMT 2023 , Edited by admin on Sat Dec 16 19:27:27 GMT 2023

PRIMARY

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