[(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Basic information
- CAS
101365-07-5- Standard SMILES
CO[C@@H]1C=C2[C@H](CCC(O[C@@H]3OC[C@@H](OC(C)=O)[C@H](O)[C@H]3O)C2(C)C)[C@@]2(C)CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)C[C@@]3(C)C12- InChIKey
AMBFYXVSRGPNHQ-XELSLTKESA-N- Molecular formula
- C46H74O14
- Average molar mass
- 851.1 g/mol
- Monoisotopic mass
- 850.50785703
Overview
AMBFYXVSRGPNHQ-XELSLTKESA-N has been reported in Hebeloma vinosophyllum with data available.
Names & identifiers
- Preferred name
- [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
- IUPAC
- [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Names & synonyms
Hebevinoside V101365-07-5SCHEMBL29934450
Database identifiers
- CAS
101365-07-5- PubChem CID
- 180965
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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