(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-propanoyltetracyclo[8.7.0.02,7.011,15]heptadeca-7,13-dien-5-yl acetate

• ChemBase ID: 208485
• Molecular Formular: C24H34O3
• Molecular Mass: 370.52496
• Monoisotopic Mass: 370.25079495
• SMILES: [C@]12(C(=CC[C@H]1[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OC(=O)C)CC3)C)CC2)C(=O)CC)C
• Canonical SMILES: CCC(=O)C1=CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C
• InChI: InChI=1S/C24H34O3/c1-5-22(26)21-9-8-19-18-7-6-16-14-17(27-15(2)25)10-12-23(16,3)20(18)11-13-24(19,21)4/h6,9,17-20H,5,7-8,10-14H2,1-4H3/t17-,18-,19-,20-,23-,24-/m0/s1
• InChIKey: RACRSWIMRBVETP-IGJOJHROSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-propanoyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-7,13-dien-5-yl acetate
• IUPAC Traditional name: (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-propanoyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-7,13-dien-5-yl acetate

Database IDs

• PubChem SID: 164264395
• PubChem CID: 11876292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.573407
• LogD (pH = 7.4): 4.573407
• Log P: 4.573407
• Molar Refractivity: 108.411 cm^3
• Polarizability: 42.37233 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds