AMURENSIN K

Details

Stereochemistry	UNKNOWN
Molecular Formula	C56H40O13
Molecular Weight	920.909
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](OC3=CC(O)=CC([C@@H]([C@@H](C4=CC=C(O)C=C4)C5=C(O)C=C(O)C=C15)C6=CC(=CC=C6O)C7=CC8=C(O7)C(O)=CC9=C8[C@@H]([C@H](O9)C%10=CC=C(O)C=C%10)C%11=CC(O)=CC(O)=C%11)=C23)C%12=CC=C(O)C=C%12

InChI

InChIKey=KYCWATKXJOSHQR-KPXHRNBCSA-N

InChI=1S/C56H40O13/c57-30-8-1-25(2-9-30)47-49(38-20-36(63)22-45-51(38)53(39-19-35(62)21-42(65)50(39)47)55(68-45)27-5-12-32(59)13-6-27)37-17-28(7-14-41(37)64)44-23-40-52-46(24-43(66)56(40)67-44)69-54(26-3-10-31(58)11-4-26)48(52)29-15-33(60)18-34(61)16-29/h1-24,47-49,53-55,57-66H/t47-,48+,49+,53+,54-,55-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C56H40O13
Molecular Weight	920.909
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 `Sat Dec 16 18:02:16 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:16 GMT 2023`
Record UNII	37E366SR4Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMURENSIN K

Common Name

English

BENZO(6,7)CYCLOHEPTA(1,2,3-CD)BENZOFURAN-4,8,10-TRIOL, 6-(5-((7R,8R)-8-(3,5-DIHYDROXYPHENYL)-7,8-DIHYDRO-4-HYDROXY-7-(4-HYDROXYPHENYL)BENZO(1,2-B:4,3-B)DIFURAN-2-YL)-2-HYDROXYPHENYL)-1,6,7,11B-TETRAHYDRO-1,7-BIS(4-HYDROXYPHENYL)-, (1R,6S,7R,11BR)-REL-(+)-

Systematic Name

English

(1S,6R,7S,11bS)-6-{5-[(7S,8S)-8-(3,5-Dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-7,8-dihydrobenzo[1,2-b:4,3-b′]difuran-2-yl]-2-hydroxyphenyl}-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd][1]benzofuran-4,8,10-triol

Systematic Name

English

REL-(+)-(1R,6S,7R,11BR)-6-(5-((7R,8R)-8-(3,5-DIHYDROXYPHENYL)-7,8-DIHYDRO-4-HYDROXY-7-(4-HYDROXYPHENYL)BENZO(1,2-B:4,3-B)DIFURAN-2-YL)-2-HYDROXYPHENYL)-1,6,7,11B-TETRAHYDRO-1,7-BIS(4-HYDROXYPHENYL)BENZO(6,7)CYCLOHEPTA(1,2,3-CD)BENZOFURAN-4,8,10-TRIOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801045300