Basic information
- CAS
152020-03-6- Standard SMILES
C[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CC[C@]4(C)C3C=CC35OCC6(CCC(C)(C)C[C@@H]63)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]54C)C2(C)CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
STCPOQVJMHDAOS-ZWOXGIEQSA-N- Molecular formula
- C42H68O13
- Average molar mass
- 781 g/mol
- Monoisotopic mass
- 780.46599222
Overview
Clinoposaponin VI has been reported in Clinopodium chinense with data available.
Names & identifiers
- Preferred name
- clinoposaponin VI
- IUPAC
- (2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxane-3,4,5-triol
- English name
- clinoposaponin VI
- Molecular formula
- C42H68O13
- Molecular weight
- 780.98
Names & synonyms
Clinoposaponin VI152020-03-6(2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxane-3,4,5-triol(2R,3R,4S,5S,6R)-2-(((2R,4S,5R,13S,18S)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-24-oxahexacyclo(15.5.2.01,18.04,17.05,14.08,13)tetracos-15-en-10-yl)oxy)-6-methyloxane-3,4,5-triolRefChem:126985DTXSID1093440316-(Hexopyranosyloxy)-23-hydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxyhexopyranoside(5xi,9xi,13xi,17xi)-16alpha-(beta-D-Glucopyranosyloxy)-23-hydroxy-18alpha-13,28-epoxyolean-11-en-3-yl 6-deoxy-beta-D-glucopyranosidebeta-D-Galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16-(beta-D-glucopyranosyloxy)-23-hydroxyolean-11-en-3-yl 6-deoxy-β-D-Galactopyranoside, (3β,4α,16β)-13,28-epoxy-16-(β-D-glucopyranosyloxy)-23-hydroxyolean-11-en-3-yl 6-deoxy- (9CI)
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,490
Physicochemical properties
- Boiling point
- 869.374 · 869.374±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.36 · 1.360±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.895 · 12.895±0.70(predicted)
Chemistry & industry
Suppliers1 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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