Basic information
- CAS
40493-20-7- Standard SMILES
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC2OC3(CCCCCCCCCCC3)OC12- InChIKey
BVWCJODMRZJTSI-UHFFFAOYSA-N- Molecular formula
- C41H62O9
- Average molar mass
- 698.9 g/mol
- Monoisotopic mass
- 698.43938355
Names & identifiers
- Preferred name
- Cyclododekanonhelveticosid [German]
- IUPAC
- 5,14-dihydroxy-13-methyl-3-(4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclododecane]-6-yl)oxy-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
Cyclododekanonhelveticosid [German]Cyclododekanonhelveticosid40493-20-75-beta-Card-20(22)-enolide, 3-beta-((3,4-O-cyclododecylidene-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
Database identifiers
- CAS
40493-20-7- PubChem CID
- 218326
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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