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71117-51-6 | (6R)-9-[(2S,3R)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one
CAS No: 71117-51-6 Catalog No: AG005E8M MDL No:
Product Description
Catalog Number:
AG005E8M
Chemical Name:
(6R)-9-[(2S,3R)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one
CAS Number:
71117-51-6
Molecular Formula:
C20H34O4
Molecular Weight:
338.4816
IUPAC Name:
(6R)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one
InChI:
InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1
InChI Key:
XRDHAXIOHKTIGF-JECBFZOVSA-N
SMILES:
OCC=C1CC[C@H]([C@](OC1)(C)CCC[C@H](C(=O)CC=C(C)C)C)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
338.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.488g/mol
Monoisotopic Mass:
338.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Total synthesis of (+)-(2'S,3'R)-zoapatanol exploiting the B-alkyl Suzuki reaction and the nucleophilic potential of the sulfinyl group. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110718 |
| Total synthesis of natural (+)-(2's,3'r)-zoapatanol. | Organic letters 20040624 |
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