Primary Record
J1.830.041I
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 101210242
- SMILES
- C[C@H](CCC(=O)OCC#CC#CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)[C@H](CSSC5=CC=CC=N5)N)C)C)[C@H]6CC[C@@H]7[C@@]6(CC[C@H]8[C@H]7CC=C9[C@@]8(CC[C@@H](C9)OC(=O)[C@H](CS)N)C)C
- Canonical SMILES
- C[C@H](CCC(=O)OCC#CC#CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](N)CSSc5ccccn5)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](N)CS)CC[C@]4(C)[C@H]3CC[C@]12C
Names & Synonyms
- J1.830.041I
- 3beta-[[(2R)-2-Amino-3-(2-pyridyldithio)propanoyl]oxy]chola-5-ene-24-oic acid 6-[3beta-[[(2R)-2-amino-3-mercaptopropanoyl]oxy]-24-oxochola-5-ene-24-yloxy]-2,4-hexadiynyl ester
- 6-{[(4R)-4-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoyl]oxy}hexa-2,4-diyn-1-yl (4R)-4-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-{[(2R)-2-amino-3-(pyridin-2-yldisulfanyl)propanoyl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoate