Basic information
- CAS
84783-21-1- Standard SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H]1O[C@@H]3OC(=O)[C@@]4(C)CC[C@H]2C1[C@@H]34- InChIKey
DLZQXEXOMBRKQB-CUUPTRCUSA-N- Molecular formula
- C20H28O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.19367399
Names & identifiers
- Preferred name
- 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one
- IUPAC
- [(1S,3S,5R,8S,9S,12S,15R,16R)-8,12-dimethyl-13-oxo-14,18-dioxapentacyclo[13.2.1.03,8.09,17.012,16]octadecan-5-yl] acetate
- English name
- 3-acetoxy-7,15-oxido-16-oxaandrostan-17-one
- Molecular formula
- C20H28O5
- Molecular weight
- 348.43332
Names & synonyms
3-AOOA3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one84783-21-116-Oxaandrostan-17-one, 3-(acetyloxy)-7,15-epoxy-, (3alpha,5beta,7alpha,14beta,15alpha)-RefChem:927793 alpha-acetoxy-7 alpha,15 alpha-oxido-16-oxa-5 beta,14 beta-androstan-17-one(2ar,3as,4as,6r,8as,8bs,10as,10br)-8a,10a-dimethyl-1-oxohexadecahydrobenzo[f][2]benzofuro[1,7,6-bcd][1]benzofuran-6-yl acetateDTXSID0010050693alpha-Acetoxy-7alpha,15alpha-oxido-16-oxa-5beta,14beta-androstan-17-one8a,10a-Dimethyl-1-oxohexadecahydrobenzo[f][2]benzofuro[1,7,6-bcd][1]benzofuran-6-yl acetate
Database identifiers
- CAS
84783-21-1- PubChem CID
- 134841
- DTXSID
DTXSID001005069
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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