Basic information
- CAS
1672-65-7- Standard SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
YEQBGJNMHDZXRG-ASBKZRTJSA-N- Molecular formula
- C27H40O2
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.30283051
Names & identifiers
- Preferred name
- (25R)-Spirosta-3,5-diene
- IUPAC
- (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-oxane]
Names & synonyms
(25R)-Spirosta-3,5-diene3-Deoxy-?3-diosgenin3-Deoxy-delta3-diosgeninDehydro diosgeninSpirosta-3,5-diene, (25R)-Spirosta-3,5-dienNSC 35545325Delta-spirosta-3,5-diene(25R)-Spirosta-3,5-dienSCHEMBL3685003DTXSID30937294NSC355453
Show more names
NSC-355453
Database identifiers
- CAS
1672-65-7- PubChem CID
- 337494
- DTXSID
DTXSID30937294- Nikkaji
- J596.545D
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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