Spirosta-5,25(27)-dien-1,3,11-triol
Basic information
- CAS
34302-29-9- Standard SMILES
C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4[C@H](O)C[C@]3(C)[C@H]1[C@@H]2C- InChIKey
HAIJPYDYMMUVDU-LICPOKBFSA-N- Molecular formula
- C27H40O5
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.28757437
Names & identifiers
- Preferred name
- Spirosta-5,25(27)-dien-1,3,11-triol
- IUPAC
- (1S,2S,4S,6R,7S,8R,9S,11R,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-11,14,16-triol
Names & synonyms
DTXSID70955856Spirosta-5,25(27)-dien-1,3,11-triolRefChem:1099000DTXCID40138383934302-29-9Spirosta-5,25(27)-diene-1,3,11-triol (1-beta,3-beta,11-alpha)-spirostan-5(6),25(27)-dien-1b,3b,11a-triolSpirosta-5,25(27)-dien-1beta,3beta,11alpha-triol
Database identifiers
- CAS
34302-29-9- PubChem CID
- 214814
- DTXSID
DTXSID70955856- Nikkaji
- J324.232C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 853
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Compound notes
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