记录说明
(3R,5S,8S,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'- 收自 NPASS。关联生物包括 Lenormandia smithiae。
红藻生物碱与氨基酸公开记录
C31H46N2O
(3R,5S,8S,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-
- 分子式
- C31H46N2O
- 式量
- 462.361014
- 平均分子量
- —
- PubChem
- CID 162990670
式量由分子式和标准同位素质量计算，462.361014。
来源
学名照录来源库原文，不是重新做的分类鉴定。
标识符
SMILES
C[C@@H]([C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1C(=O)N5C)N(C)C
InChIKey
SLGWGPQWJRVPAD-OBXXFQLLSA-N
CAS：这里用的两张来源表里没有。
- PubChem CID 162990670：登记号交叉引用返回为空。
- 在 COCONUT 2026-10 的 CSV 中，cas 列为空。
IUPAC
(3R,5S,8S,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one
出处说明
- NPASS NPC268209。提供学名。数值不改写成功效。
- PubChem CID 162990670。提供化合物编号。登记号只取登记号交叉引用，不从名称推断。
- PubChem CID 162990670：登记号交叉引用返回为空。
- 在 COCONUT 2026-10 的 CSV 中，cas 列为空。
相近条目
- (3S,5R,8R,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-C31H46N2O
- (3S,8S,9S,10R,13S,14S,16S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-olC24H41NO2
- (E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-phenylpropC32H48N2O
- (E)-N-[(5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamidC28H44N2O2