(2R,2'R,15'S)-5'-ethoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecane]-5',7'-dien-5-one

• ChemBase ID: 185099
• Molecular Formular: C24H34O3
• Molecular Mass: 370.52496
• Monoisotopic Mass: 370.25079495
• SMILES: [C@@]12(C(=CCC3C1CC[C@@]1([C@@]4(OC(=O)CC4)CCC31)C)C=C(CC2)OCC)C
• Canonical SMILES: CCOC1=CC2=CCC3C([C@]2(CC1)C)CC[C@]1(C3CC[C@]21CCC(=O)O2)C
• InChI: InChI=1S/C24H34O3/c1-4-26-17-7-11-22(2)16(15-17)5-6-18-19(22)8-12-23(3)20(18)9-13-24(23)14-10-21(25)27-24/h5,15,18-20H,4,6-14H2,1-3H3/t18?,19?,20?,22-,23-,24+/m0/s1
• InChIKey: PFOMZLRVGKNKCE-OUMQLMHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,2'R,15'S)-5'-ethoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5',7'-dien-5-one
• IUPAC Traditional name: (2R,2'R,15'S)-5'-ethoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5',7'-dien-5-one

Database IDs

• PubChem SID: 164241009
• PubChem CID: 16396181

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.057752
• LogD (pH = 7.4): 4.057752
• Log P: 4.057752
• Molar Refractivity: 108.4108 cm^3
• Polarizability: 42.262478 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds