기본 정보
- CAS
90295-68-4- 표준 SMILES
O=C1O/C(=C(/C(=O)O)c2ccc(O)cc2)C(O)=C1c1cc2c3c(c(O)cc(C4=C(O)/C(=C(\C(=O)O)c5ccc(O)cc5)OC4=O)c3c1)OC2=O- InChIKey
NEAFOYGNZAYARY-KBWMUOTDSA-N- 분자식
- C35H18O15
- 평균 분자량
- 678.5 g/mol
- 단동위원소 질량
- 678.06456986
개요
Norbadion A is an organooxygen compound. It is functionally related to a tetracarboxylic acid.
이름 및 식별자
- 우선 이름
- (alphaE,alpha'E)-alpha,alpha'-((8-Hydroxy-2-oxo-2H-naphtho(1,8-bc)furan-4,6-diyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene))bis(4-hydroxybenzeneacetic acid)
- IUPAC
- (2E)-2-[4-[9-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-6-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
- 영어명
- 8-Hydroxy-4,6-bis[(5E)-5-(α-carboxy-4-hydroxybenzylidene)-4-hydroxy-2,5-dihydro-2-oxofuran-3-yl]-2H-naphtho[1,8-bc]furan-2-one
- 분자식
- C35H18O15
- 분자량
- 678.51
이름 및 동의어
Norbadione A8DH6BNL8BA90295-68-4DTXSID301045531RefChem:906328DTXCID001527455(2E)-2-(4-(9-((5E)-5-(carboxy-(4-hydroxyphenyl)methylidene)-4-hydroxy-2-oxofuran-3-yl)-11-hydroxy-3-oxo-2-oxatricyclo(6.3.1.04,12)dodeca-1(11),4,6,8(12),9-pentaen-6-yl)-3-hydroxy-5-oxofuran-2-ylidene)-2-(4-hydroxyphenyl)acetic acid(alphaE,alpha'E)-alpha,alpha'-((8-Hydroxy-2-oxo-2H-naphtho(1,8-bc)furan-4,6-diyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene))bis(4-hydroxybenzeneacetic acid)Norbadion AUNII-8DH6BNL8BANSC605656NSC605657
이름 더 보기
8-Hydroxy-4,6-bis[(5E)-5-(α-carboxy-4-hydroxybenzylidene)-4-hydroxy-2,5-dihydro-2-oxofuran-3-yl]-2H-naphtho[1,8-bc]furan-2-one3,5-Bis[2-oxo-4-hydroxy-5-[(E)-(4-hydroxyphenyl)carboxymethylene]-2,5-dihydrofuran-3-yl]-7,8-dihydroxynaphthalene-1-carboxylic acid 1,8-lactoneBenzeneacetic acid, α,α'-[(8-hydroxy-2-oxo-2H-naphtho[1,8-bc]furan-4,6-diyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α'E)-
Naphthalenoid Pulvinic acidSCHEMBL12766867CHEBI:210651NSC-605656Q15425764Naphthalenoid pulvinic acid derv. from Pisolithus tinctorius fungus(.ALPHA.E,.ALPHA.E)-.ALPHA.,.ALPHA.-((8-HYDROXY-2-OXO-2H-NAPHTHO(1,8-BC)FURAN-4,6-DIYL)BIS(3-HYDROXY-5-OXO-4-FURANYL-2(5H)-YLIDENE))BIS(4-HYDROXYBENZENEACETIC ACID)(2E)-2-[3-hydroxy-4-[hydroxy-[(5E)-4-hydroxy-5-[2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethylidene]-2-oxo-3-furyl]-oxo-[?]yl]-5-oxo-2-furylidene]-2-(4-hydroxyphenyl)acetic acid
데이터베이스 식별자
- CAS
90295-68-4- PubChem CID
- 54679293
- DTXSID
DTXSID301045531- ChEBI
CHEBI:210651- UNII
- 8DH6BNL8BA
- Nikkaji
- J176.751H
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 255 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,650
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