名称和标识符别名信息物化性质相关文献专业数据库参考

辣椒紫紅素 | 470-38-2

中文名称：辣椒紫紅素

英文名称： Capsorubin

CAS No.： 470-38-2

分子式： C₄₀H₅₆O₄

分子量： 600.8702

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：辣椒紫紅素结构式

下载该化合物MOL文件：辣椒紫紅素MOL

PubChem CID： 5281229

快速询单

辣椒紫紅素的其他展现形式

相关化合物

all-trans-Capsorubin

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all-trans-Capsorubin

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all-trans-Capsorubin

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all-trans-Capsorubin

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(3S,5R,5'R)-3-hydroxy-kappa,kappa-carotene-6,6'-dione

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neocapsanthin B''

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名称和标识符

InChIKey	GVOIABOMXKDDGU-YUURSNASSA-N
Inchi	InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1
SMILES	CC1([C@@](C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C([C@]2(C(C)(C)C[C@H](O)C2)C)=O)\C)\C)/C)/C)=O)(C)C[C@@H](O)C1)C

别名信息

- 中文别名 -

辣椒红素
辣椒玉红素
辣椒玉红素标准品
辣椒紫紅素

- 英文别名 -

k,k-Carotene-6,6'-dione, 3,3'-dihydroxy-,(3S,3'S,5R,5'R)-
CAPSORUBIN
(3S,3'S,5R,5'R)-3,3'-Dihydroxy-kappa,kappa-carotene-6,6'-dione
(3S,5R,3'S,5'R)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione
AC1NQY86

all-trans-Capsorubin
C08585
CHEBI:3378
EINECS 207-425-2
.KAPPA.,.KAPPA.-CAROTENE-6,6'-DIONE, 3,3'-DIHYDROXY-, (3S,3'S,5R,5'R)-
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-Bis((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
805VAB3L0H
(3S,3'S,5R,5'R)-3,3'-DIHYDROXY-.KAPPA.,.KAPPA.-CAROTENE-6,6'-DIONE
DTXSID901018116
CAPSORUBIN, ALL-TRANS-
LMPR01070048
all-trans-capsorubin
E160 (Capsorubin)
3,3'-Dihydroxy-k,k-carotene-6,6'-dione
470-38-2
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
AKOS040754968
Q15633290
28368-02-7
SCHEMBL115586
UNII-805VAB3L0H
2,4,6,8,10,12,14,16,18-EICOSANONAENE-1,20-DIONE, 1,20-BIS(4-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-4,8,13,17-TETRAMETHYL-, (1R,1R,4S,4S)-(ALL-E)-
Capsorubin

物化性质

计算特性

精确分子量	600.41786026g/mol
氢键供体数量	2
氢键受体数量	4
可旋转化学键数量	12
同位素质量	600.41786026g/mol
重原子数量	44
复杂度	1230
同位素原子数量	0
确定原子立构中心数量	4
不确定原子立构中心数量	0
确定化学键立构中心数量	9
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	10.3
拓扑分子极性表面积	74.6Å²

相关文献

1. Carotenoids exclusively synthesized in red pepper (capsanthin and capsorubin) protect human dermal fibroblasts against UVB induced DNA damage
Elisabet Fernández-García,Irene Carvajal-Lérida,Antonio Pérez-Gálvez Photochem. Photobiol. Sci. 2016 15 1204
2. 803. Carotenoids and related compounds. Part VI. Some conjugated polyene diketones, and their comparison with capsorubin
C. K. Warren,B. C. L. Weedon J. Chem. Soc. 1958 3972
3. Total synthesis of capsanthin and capsorubin using Lewis acid-promoted regio- and stereoselective rearrangement of tetrasubsutituted epoxides
Yumiko Yamano,Masayoshi Ito Org. Biomol. Chem. 2007 5 3207
4. Carotenoids and related compounds. Part 37. Stereochemistry and synthesis of capsorubin
Roy D. Bowden,Robin D. G. Cooper,C. John Harris,Gerard P. Moss,Basil C. L. Weedon,Lloyd M. Jackman J. Chem. Soc. Perkin Trans. 1 1983 1465
5. 782. Carotenoids and related compounds. Part IX. The structures of capsanthin and capsorubin
M. S. Barber,L. M. Jackman,C. K. Warren,B. C. L. Weedon J. Chem. Soc. 1961 4019
6. Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys. 2017 19 17156
7. Optical rotatory dispersion of carotenoids
L. Bartlett,W. Klyne,W. P. Mose,P. M. Scopes,G. Galasko,A. K. Mallams,B. C. L. Weedon,J. Szabolcs,G. Tóth J. Chem. Soc. C 1969 2527
8. (Z/E)-photoisomerization of C40-carotenoids by iodine
Péter Molnár,József Szabolcs J. Chem. Soc. Perkin Trans. 2 1993 261
9. An accurate and highly efficient method for finding antioxidant chemicals from Capsicum annuum L.
Xiaoqian Zhang,Lei Jiang,Lin Ma,Lijuan Mei,Yaozhou Zhang Anal. Methods 2015 7 4295
10. The genus Capsicum: a phytochemical review of bioactive secondary metabolites
A. S. Antonio,L. S. M. Wiedemann,V. F. Veiga Junior RSC Adv. 2018 8 25767