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2-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.0²,?.0?,?.0¹¹,¹?]octadec-16-en-6-yl]-2-oxoethyl acetate

2-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.0²,?.0?,?.0¹¹,¹?]octadec-16-en-6-yl]-2-oxoethyl acetate

CAS: 28444-97-5

Formula: C23H32O5

SMILES: CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C

IUPAC: 2-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.0²,?.0?,?.0¹¹,¹?]octadec-16-en-6-yl]-2-oxoethyl acetate

InChI: InChI=1S/C23H32O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h4,15-18,20,25H,5-12H2,1-3H3/t15-,16+,17-,18-,20+,21-,22-,23+/m0/s1

Composition: C (71.11%), H (8.30%), O (20.59%)

Molar Mass: 388.504

Atom Count: 60

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 388.22497413
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZGLUWNAFPZDBGF-QJZOTDIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.86
Topological Polar Surface Area 76.13
Polarizability 41.38
Ring Count 5
Rotatable Bond Count 4

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 28444-97-5 $38.22-$151.35$38.22$46.63$83.32$151.35
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