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Basic information
- CAS
60478-69-5- Standard SMILES
C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
LVTJOONKWUXEFR-YFQJTNJMSA-N- Molecular formula
- C51H84O22
- Average molar mass
- 1,049.211 g/mol
- Monoisotopic mass
- 1,048.54542433
Names & identifiers
- Preferred name
- Asparasaponin I
- IUPAC
- (22R,25S)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside
- English name
- PROTODIOSCIN
- Molecular formula
- C51H84O22
- Molecular weight
- 1049.21
Names & synonyms
Asparasaponin IC08917Protoneodioscinβ-D-Glucopyranoside, (3β,22α,25S)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
Database identifiers
- CAS
60478-69-5- PubChem CID
- 441899
- DTXSID
DTXSID50331659- ChEMBL
CHEMBL1163175- ChEBI
CHEBI:9718- Nikkaji
- J1.892.846I
Properties
Physicochemical properties
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 12 · 12+-.0.70(Predicted)
Chemistry & industry
Suppliers5 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Additional notes
DefinitionChEBI: Trigonelloside C is a steroid saponin.
Related reactions
0 records
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Compound notes
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