2-[(4aS,6aS,7R,8R,10bR)-5'-(hydroxymethyl)-3,6a,8,10b-tetramethyl-decahydro-1H-spiro[naphtho[2,1-d][1,3]dioxine-7,2'-oxolane]-5'-yl]ethan-1-ol

• ChemBase ID: 219438
• Molecular Formular: C22H38O5
• Molecular Mass: 382.53412
• Monoisotopic Mass: 382.27192432
• SMILES: [C@]12([C@]3(OC(CC3)(CCO)CO)[C@@H](CCC1[C@]1([C@@H](OC(OC1)C)CC2)C)C)C
• Canonical SMILES: OCCC1(CO)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@H]2[C@@]1(C)COC(O2)C
• InChI: InChI=1S/C22H38O5/c1-15-5-6-17-19(3)14-25-16(2)26-18(19)7-8-20(17,4)22(15)10-9-21(13-24,27-22)11-12-23/h15-18,23-24H,5-14H2,1-4H3/t15-,16?,17?,18+,19+,20+,21?,22-/m1/s1
• InChIKey: QZOBEYQBKBPACE-CQBLAGPVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4aS,6aS,7R,8R,10bR)-5'-(hydroxymethyl)-3,6a,8,10b-tetramethyl-decahydro-1H-spiro[naphtho[2,1-d][1,3]dioxine-7,2'-oxolane]-5'-yl]ethan-1-ol
• IUPAC Traditional name: 2-[(4aS,6aS,7R,8R,10bR)-5'-(hydroxymethyl)-3,6a,8,10b-tetramethyl-octahydro-1H-spiro[naphtho[2,1-d][1,3]dioxine-7,2'-oxolane]-5'-yl]ethanol

Database IDs

• PubChem SID: 164275348
• PubChem CID: 16409343

CALCULATED PROPERTIES

• Acid pKa: 14.348499
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.2669005
• LogD (pH = 7.4): 2.2669005
• Log P: 2.2669005
• Molar Refractivity: 103.2559 cm^3
• Polarizability: 41.66539 Å^3
• Polar Surface Area: 68.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds