Basic information
- CAS
41653-86-5- Standard SMILES
COC(=O)C(C)C1OC(=O)C=C2C1=CC1OC(=O)C3(C)C(O)C4OC4C2(C)C13- InChIKey
WJTAQUCBJLHAPR-UHFFFAOYSA-N- Molecular formula
- C20H22O8
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.13146766
Overview
NSC369410 has been reported in Podocarpus nubigenus with data available.
Names & identifiers
- Preferred name
- Nubilactone A
- IUPAC
- methyl 2-(5-hydroxy-1,6-dimethyl-7,14-dioxo-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-dien-12-yl)propanoate
- English name
- (1aS)-1aα,2a,4aβ,4bβ,6,8,9b,9cα-Octahydro-2β-hydroxy-2aβ,9bα-dimethyl-6β-[1-(methoxycarbonyl)ethyl]-2H,3H-furo[2',3',4':4,5]oxireno[7,8]naphtho[2,1-c]pyran-3,8-dione
- Molecular formula
- C20H22O8
- Molecular weight
- 390.38388
Names & synonyms
NSC36941041653-86-5NUBILACTONE ADTXSID90331118NSC-369410Methyl 2-(2-hydroxy-2a,9b-dimethyl-3,8-dioxo-1a,2a,4a,4b,6,8,9b,9c-octahydro-2H,3H-furo[2',3',4':4,5]oxireno[7,8]naphtho[2,1-c]pyran-6-yl)propanoate(1aS)-1aα,2a,4aβ,4bβ,6,8,9b,9cα-Octahydro-2β-hydroxy-2aβ,9bα-dimethyl-6β-[1-(methoxycarbonyl)ethyl]-2H,3H-furo[2',3',4':4,5]oxireno[7,8]naphtho[2,1-c]pyran-3,8-dione
Database identifiers
- CAS
41653-86-5- PubChem CID
- 435396
- DTXSID
DTXSID90331118
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 873
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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