HRID2393068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

HCID64971

Betulinic acid

C30H48O3

结构：C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

HCID72326

(+)-Betulin

C30H50O2

PRODUCTS

生成物

结构：C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12

HCID289984

3-(acetyloxy)lup-20(29)-en-28-oic acid

C32H50O4

PROCEDURE

实验过程

The method of claim 12 wherein the overall yield of the α-isomer of betulinic acid from betulin is greater than 50%.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61951f038fc84f808da5134a228a2f17
来源数据集: uspto-grants-1998_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05804575
来源说明: uspto-grants-1998_09

反应 SMILES

[CH3:1][C:2]([C@H:4]1[C@@H:8]2[C@@H:9]3[C@@:22]([CH3:25])([CH2:23][CH2:24][C@@:7]2([C:31]([OH:33])=[O:32])[CH2:6][CH2:5]1)[C@@:21]1([CH3:26])[C@@H:12]([C@:13]2([CH3:30])[C@@H:18]([CH2:19][CH2:20]1)[C:17]([CH3:28])([CH3:27])[C@@H:16]([OH:29])[CH2:15][CH2:14]2)[CH2:11][CH2:10]3)=[CH2:3].CC([C@H]1[C@@H]2[C@@H]3[C@@](C)(CC[C@@]2(CO)CC1)[C@@]1(C)[C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H:49]([OH:62])[CH2:48]C2)CC3)=C>>[CH3:3][C:2]([CH:4]1[CH:8]2[CH:9]3[C:22]([CH3:25])([CH2:23][CH2:24][C:7]2([C:31]([OH:33])=[O:32])[CH2:6][CH2:5]1)[C:21]1([CH3:26])[CH:12]([C:13]2([CH3:30])[CH:18]([CH2:19][CH2:20]1)[C:17]([CH3:27])([CH3:28])[CH:16]([O:29][C:49]([CH3:48])=[O:62])[CH2:15][CH2:14]2)[CH2:11][CH2:10]3)=[CH2:1]