基本情報
- CAS
140447-99-0- 標準SMILES
C/C1=C\C=C\C2(C)C=C(CO)C(C)CC23OC([O-])C(C3=O)C(O)/C=C/C2(C)C=C(C=O)C(C)CC23OC([O-])C(C3=O)C(O)/C(C)=C/C=C/C2C=C(CO)C(C)CC23OC([O-])C(C3=O)C(O)/C=C/C2(C)C=C(C=O)C(C)CC23OC([O-])C(C3=O)C1O- InChIKey
QRIFUTSHNGBCFH-BMOXXYDWSA-N- 分子式
- C65H78O20-4
- 平均分子量
- 1,179.3 g/mol
- 単同位体質量
- 1,178.50864487
概要
Quartromicin D1 has been reported in Amycolatopsis orientalis with data available.
名称と識別子
- 優先名称
- Quartromicin D1
- IUPAC
- (7E,19E,21E,33E,45E,47E)-4,30-diformyl-9,23,35,49-tetrahydroxy-16,42-bis(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-12,26,38,52-tetraoxanonacyclo[48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrolate
名称と別名
Quartromicin D1BU-3889V D1140447-99-04a,7:14a,17:26a,29:36a,39-Tetrametheno-6H,16H,28H,38H-tetrabenzo(b,j,t,b1)(1,9,19,27)tetraoxacyclohexatriacontin-12,34-dicarboxaldehyde, 3,4,8,10a,13,14,18,22a,25,26,30,32a,35,36,40,44a-hexadecahydro-45,46,47,48-tetrahydroxy-2,24-bis(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-6,8,16,18,28,30,38,40-octaoxo-4a,7:14a,17:26a,29:36a,39-Tetrametheno-6H,16H,28H,38H-tetrabenzo[b,j,t,b1][1,9,19,27]tetraoxacyclohexatriacontin-12,34-dicarboxaldehyde, 3,4,8,10a,13,14,18,22a,25,26,30,32a,35,36,40,44a-hexadecahydro-45,46,47,48-tetrahydroxy-2,24-bis(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-6,8,16,18,28,30,38,40-octaoxo-octahydroxy-bis(hydroxymethyl)-nonamethyl-tetraoxo-[?]dicarbaldehyde
データベース識別子
- CAS
140447-99-0- PubChem CID
- 6450992
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 353 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 20
- 回転可能結合数
- 4
- 重原子数
- 85
- 形式電荷
- -4
- 複雑度
- 3,070
関連反応
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