Ustilaginoidin C
기본 정보
- CAS
59231-32-2- 표준 SMILES
O=c1cc(O)c2c(O)c3c(O)cc(CO)oc3cc2c1-c1c(=O)cc(O)c2c(O)c3c(O)cc(CO)oc3cc12- InChIKey
QBCLUTRSJMIUOW-UHFFFAOYSA-N- 분자식
- C28H18O12
- 평균 분자량
- 546.4 g/mol
- 단동위원소 질량
- 546.07982601
개요
Ustilaginoidin C is a binaphthopyran resulting from the formal oxidative coupling at position 9 of two molecules of 5,6,8-trihydroxy-2-(hydroxymethyl)-4H-naphtho[2,3-b]pyran-4-one. It has a role as a mycotoxin. It is a binaphthopyran, a naphtho-gamma-pyrone and a benzochromenone.
이름 및 식별자
- 우선 이름
- Ustilaginoidin C
- IUPAC
- 4,5,6-trihydroxy-2-(hydroxymethyl)-9-[4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxobenzo[g]chromen-9-yl]benzo[g]chromen-8-one
- 영어명
- [aR,(-)]-5,5',6,6',8,8'-Hexahydroxy-2,2'-di(hydroxymethyl)-9,9'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione
- 분자식
- C28H18O12
- 분자량
- 546.44
이름 및 동의어
Ustilaginoidin CUstilaginoidin-cUstilaginoidine C24YJB567GW(9,9'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-, (9R)-(9R)-5,5',6,6',8,8'-Hexahydroxy-2,2'-bis(hydroxymethyl)(9,9'-bi-4H-naphtho(2,3-b)pyran)-4,4'-dione59231-32-24,5,6-trihydroxy-2-(hydroxymethyl)-9-(4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxobenzo(g)chromen-9-yl)benzo(g)chromen-8-one4,5,6-trihydroxy-2-(hydroxymethyl)-9-[4,5,6-trihydroxy-2-(hydroxymethyl)-8-oxobenzo[g]chromen-9-yl]benzo[g]chromen-8-oneRefChem:193376UNII-24YJB567GWCHEBI:194128
이름 더 보기
(-)-Ustilaginoidin C[aR,(-)]-5,5',6,6',8,8'-Hexahydroxy-2,2'-di(hydroxymethyl)-9,9'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-, (9R)-
Epitope ID:2151091(6S,9R)-6,9-dihydro-5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-[9,9'-bi-4H-naphtho[2,3-b]pyran]-4,4'-dione(9M)-5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione(9Ra)-5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-4H,4'H-[9,9'-bibenzo[g]chromene]-4,4'-dione
데이터베이스 식별자
- CAS
59231-32-2- PubChem CID
- 135798379
- ChEBI
CHEBI:194128- UNII
- 24YJB567GW
- Nikkaji
- J168.826J
물성
구조 계산 물성
- XLogP
- -2
- 극성 표면적
- 214 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,640
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