土波台文碱 | 6711-69-9
中文名称:
土波台文碱
英文名称:
3,5-Ethano-3H-pyrrolo[2,3-d]carbazole-6-carboxylicacid, 4-ethyl-1,2,3a,4,5,7-hexahydro-, methyl ester, (3S,3aR,4S,5S,11bS)-
CAS No.:
6711-69-9
分子式:
C2 0 H2 4 N2 O2
分子量:
324.41676
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:土波台文碱结构式
名称和标识符
InChIKey
RLAKWLFUMAABBE-UHFFFAOYSA-N
Inchi
InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3
SMILES
O=C(C1=C2NC3=C(C=CC=C3)[C@@]24[C@@]5([H])[C@@H](CC)[C@]1([H])CCN5CC4)OC
别名信息
- 英文别名 -
3,5-Ethano-3H-pyrrolo[2,3-d]carbazole-6-carboxylicacid, 4-ethyl-1,2,3a,4,5,7-hexahydro-, methyl ester, (3S,3aR,4S,5S,11bS)-
Tubotaiwine
Tubotaiwin
(+)-19,20-Dihydrocondylocarpine
(+)-Dihydrocondylocarpine
(+)-Tubotaiwine
19.20-Dihydro-condylo-carpin (Tubotaiwin)
AC1L2NTX
AGN-PC-00NYXD
condyfol-2(16)-ene-16-carboxylic acid methyl ester
DIHYDROCONDYLOCARPINE
Tubotaiwine (8CI)
Methyl (14beta)-2,16-didehydrocondyfolan-16-carboxylate
NSC 306222
[
""
]
NSC306222
DTXSID60986139
methyl 18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
6711-69-9
methyl 4-ethyl-1,2,3a,4,5,7-hexahydro-3,5-ethanopyrrolo[2,3-d]carbazole-6-carboxylate
NSC-306222
AKOS032948978
ACon1_001358
Condyfolan-16-carboxylic acid,16-didehydro-, methyl ester
Q27138847
CHEBI:70515
methyl (1S,11S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
20(S)-tubotaiwine
AKOS040762459
SCHEMBL6239856
FS-8690
Condyfolan-16-carboxylic acid, 2,16-didehydro-, methyl ester
20(R)-tubotaiwine
Dihydrocondylocarpine
Condyfolan-16-carboxylic acid, 2,16-didehydro-, methylester
物化性质
实验特性
LogP
2.98690
PSA
41.57000
溶解度
几乎不溶 (0.028 g/L) (25 ºC),
颜色与性状
Powder
密度
1.26±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
324.18400
氢键供体数量
1
氢键受体数量
4
可旋转化学键数量
3
同位素质量
324.183778013g/mol
重原子数量
24
复杂度
600
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
4
确定化学键立构中心数量
0
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)
3.1
拓扑分子极性表面积
41.6Ų
相关文献
1.
Total synthesis of the Strychnos alkaloid tubotaiwine
Jordi Gràcia,Josep Bonjoch,Núria Casamitjana,Mercedes Amat,Joan Bosch J. Chem. Soc. Chem. Commun. 1991 614
2.
Simple indole alkaloids and those with a nonrearranged monoterpenoid unit
Kazuhiro Higuchi,Tomomi Kawasaki Nat. Prod. Rep. 2007 24 843
3.
Total synthesis of (±)-tubotaiwine (dihydrocondylocarpine)
B. A. Dadson,John Harley-Mason J. Chem. Soc. D 1969 665b
4.
Racent progress in the chemistry of indole alkaloids and mould metabolites
J. E. Saxton Nat. Prod. Rep. 1989 6 1
5.
A comprehensive review on phytochemistry and pharmacology of genus Kopsia: monoterpene alkaloids – major secondary metabolites
Nguyen Quang Hop,Ninh The Son RSC Adv. 2022 12 19171
6.
Recent progress in the chemistry of indole alkaloids and mould metabolites
J. E. Saxton Nat. Prod. Rep. 1992 9 393
7.
Recent progress in the chemistry of indole alkaloids and mould metabolites
J. E. Saxton Nat. Prod. Rep. 1984 1 21
8.
Subject index, 1991
J. Chem. Soc. Chem. Commun. 1991 S1
9.
Simple indole alkaloids and those with a non-rearranged monoterpenoid unit
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