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(1R,3R,5S,7S,8S,9R,10R)-7,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,?]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate

(1R,3R,5S,7S,8S,9R,10R)-7,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,?]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate

CAS: 191547-12-3

Formula: C35H42O9

SMILES: CC(=O)O[C@H]1C[C@H](OC(=O)C=CC2=CC=CC=C2)C(=C)[C@H]2C[C@@H]3CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12C)C3(C)C

IUPAC: (1R,3R,5S,7S,8S,9R,10R)-7,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,?]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate

InChI: InChI=1S/C35H42O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-26,28-29,32-33H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28+,29+,32-,33+,35-/m1/s1

Composition: C (69.29%), H (6.98%), O (23.73%)

Molar Mass: 606.712

Atom Count: 86

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 7
Exact Mass 606.282882932
Formal Charge 0
FSP3 0.51
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey OBBKIKZFVSBXJQ-QJKHZRRKSA-N
Lipinski's Rule of Five
Molar Refractivity 161.58
Topological Polar Surface Area 122.27
Polarizability 63.99
Ring Count 4
Rotatable Bond Count 10

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98% <6 Days 191547-12-3 $540.12$540.12
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