Basic information
- CAS
90706-58-4- Standard SMILES
CC(=O)OC1CC2(C)OC2CCC2(C)OC2CC2CC3=C(CCC4(O3)C(=O)CC3CC5OC5(C)CCC5OC5(C)CC(OC(C)=O)C4C3(C)C)C1C2(C)C- InChIKey
VYPXSORYXNHLEH-UHFFFAOYSA-N- Molecular formula
- C44H64O10
- Average molar mass
- 753 g/mol
- Monoisotopic mass
- 752.44994823
Overview
from Hypoestes rosea; structure in first source
Names & identifiers
- Preferred name
- Dihypoestoxide
- IUPAC
- (12'-acetyloxy-5,5',10,10',17',17',21,21-octamethyl-15'-oxospiro[4,9,18-trioxapentacyclo[11.7.1.03,5.08,10.014,19]henicos-14(19)-ene-17,14'-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecane]-12-yl) acetate
Names & synonyms
Dihypoestoxide90706-58-4(12'-acetyloxy-5,5',10,10',17',17',21,21-octamethyl-15'-oxospiro[4,9,18-trioxapentacyclo[11.7.1.03,5.08,10.014,19]henicos-14(19)-ene-17,14'-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecane]-12-yl) acetate(12'-acetyloxy-5,5',10,10',17',17',21,21-octamethyl-15'-oxospiro(4,9,18-trioxapentacyclo(11.7.1.03,5.08,10.014,19)henicos-14(19)-ene-17,14'-4,9-dioxatetracyclo(11.3.1.03,5.08,10)heptadecane)-12-yl) acetateRefChem:134006Spiro(4,9-dioxatetracyclo(11.3.1.03,5.08,10)heptadecane-14,9'-(6,12)methano(9H)bisoxireno(6,7:10,11)cyclotetradeca(1,2-b)pyran)-15-one, 12,13'-bis(acetyloxy)-1'a,2',3',3'a,4'a,5',6',7',10',11',12',13',14',14'a-tetradecahydro-3'a,5,10,14'a,15',15',17,17-octamethyl-
Database identifiers
- CAS
90706-58-4- PubChem CID
- 185040
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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