CAS号:78473-71-9-(+/-)-肠内酯 - (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one-科华智慧

1. 主信息

英文名:	(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
中文名:	(+/-)-肠内酯
CAS编号:	78473-71-9
化学分子式：	C₁₈H₁₈O₄
化学分子量：	298.3 g/mol
SMILES：	C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	2,3-BHBB 2,3-bis(3'-hydroxybenzyl)butyrolactone 2,3-bis(3'-hydroxybenzyl)butyrolactone, (trans)-(+-)-isomer 2,3-bis(3'-hydroxybenzyl)butyrolactone, (trans)-isomer 3,4-bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	10mg	≥95%	2880	2-8°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 40 42 0 1 0 0 0 0 0999 V2000 -4.0581 0.4475 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 -0.5215 -1.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5845 1.6942 -2.4233 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 -2.0533 2.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 0.6406 0.8926 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9340 -0.3117 -0.2878 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1640 0.6496 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 2.0418 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 -1.7623 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 -0.1507 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 2.1611 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 -2.0860 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 1.8676 -1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 2.5631 1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -1.9154 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 -2.5500 -1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 1.9786 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2965 2.6740 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 -2.2157 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -2.8502 -1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 2.3820 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 -2.6832 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 0.3002 1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3539 -0.0068 -1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -0.1738 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4159 1.5860 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 2.7892 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9006 2.3316 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -2.4383 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 -2.0093 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0261 1.5741 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4938 2.7902 2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2051 -1.5654 2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2851 -2.6807 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 2.9867 1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 -3.2129 -2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 2.4698 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 -2.9183 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8759 1.4265 -3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -1.7185 2.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 17 1 0 0 0 0 3 39 1 0 0 0 0 4 19 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 2 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one

4.2 InChl

InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1

4.3 InChlKey

HVDGDHBAMCBBLR-WMLDXEAASA-N

4.4 Canonical SMILES

C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O

4.5 lsomeric SMILES

C1[C@@H]([C@H](C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型