Basic information
- CAS
2871-73-0- Standard SMILES
COC12CC(=O)C3(C(CC4C5CC=C6CC(OC(C)=O)CCC6(C)C5CCC43C)C1)C1CC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC3(C)C12- InChIKey
YUKXWYIDWJJZMD-UHFFFAOYSA-N- Molecular formula
- C47H66O6
- Average molar mass
- 727 g/mol
- Monoisotopic mass
- 726.48593982
Names & identifiers
- Preferred name
- 9-Methoxy-9b,11b,18c,20b-tetramethyl-21-oxo-1,3,4,6,6a,6b,7,7a,8,9,9a,9b,10,11,11a,11b,12,13,14,15,17,17a,17b,18,18a,18c,19,20,20a,20b-triacontahydro-2h-9,18b-ethano-as-indaceno[2,1-a:7,6-a']diphenanthrene--3,14-diyl diacetate
- IUPAC
- (29-acetyloxy-19-methoxy-13,17,32,36-tetramethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.024,33.027,32]octatriaconta-7,26-dienyl) acetate
Names & synonyms
2871-73-0NSC673129-methoxy-9b,11b,18c,20b-tetramethyl-21-oxo-1,3,4,6,6a,6b,7,7a,8,9,9a,9b,10,11,11a,11b,12,13,14,15,17,17a,17b,18,18a,18c,19,20,20a,20b-triacontahydro-2h-9,18b-ethano-as-indaceno[2,1-a:7,6-a']diphenanthrene--3,14-diyl diacetateDTXSID10951357NSC-67312
Database identifiers
- CAS
2871-73-0- PubChem CID
- 249243
- DTXSID
DTXSID10951357
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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