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(3aR,4aS,5S,7aS,8R,9aS)-5-hydroxy-4a,8-dimethyl-3-methylidene-octahydro-3aH-azuleno[6,5-b]furan-2-one

(3aR,4aS,5S,7aS,8R,9aS)-5-hydroxy-4a,8-dimethyl-3-methylidene-octahydro-3aH-azuleno[6,5-b]furan-2-one

CAS: 122872-03-1

Formula: C15H22O3

SMILES: [H][C@]12C[C@@H](C)[C@]3([H])CC[C@H](O)[C@@]3(C)C[C@]1([H])C(=C)C(=O)O2

IUPAC: (3aR,4aS,5S,7aS,8R,9aS)-5-hydroxy-4a,8-dimethyl-3-methylidene-dodecahydroazuleno[6,5-b]furan-2-one

InChI: InChI=1S/C15H22O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11+,12-,13+,15-/m1/s1

Composition: C (71.97%), H (8.86%), O (19.17%)

Molar Mass: 250.338

Atom Count: 40

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 250.156894568
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BOPADYWRUULRBD-MBICNOSFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.94
Topological Polar Surface Area 46.53
Polarizability 27.32
Ring Count 3
Rotatable Bond Count 0

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