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18296-44-1 | Butanoic acid, 3-methyl-, 1,1'-[(1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl] ester
CAS No: 18296-44-1 Catalog No: AG0024AZ MDL No:MFCD00868024
Product Description
Catalog Number:
AG0024AZ
Chemical Name:
Butanoic acid, 3-methyl-, 1,1'-[(1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl] ester
CAS Number:
18296-44-1
MDL Number:
MFCD00868024
IUPAC Name:
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
InChI:
InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChI Key:
BDIAUFOIMFAIPU-KVJIRVJXSA-N
EC Number:
242-174-2
UNII:
L3JQ035X9B
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
422.194g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.474g/mol
Monoisotopic Mass:
422.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Effect of storage time and conditions on the diene valepotriates content of the extract of Valeriana glechomifolia obtained by supercritical carbon dioxide. | Phytochemical analysis : PCA 20120101 |
| In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases. | Planta medica 20111001 |
| Concise synthesis of 5,6-dihydrovaltrate leading to enhanced Rev-export inhibitory congener. | Bioorganic & medicinal chemistry 20100815 |
| Bioisostere of valtrate, anti-HIV principle by inhibition for nuclear export of Rev. | Bioorganic & medicinal chemistry letters 20100401 |
| Acylated iridoids with cytotoxicity from Valeriana jatamansi. | Journal of natural products 20090401 |
| Sorbifolivaltrates A-D, diene valepotriates from Valeriana sorbifolia(1). | Journal of natural products 20071201 |
| [Study on quality specification of Rhizoma et Radix Valeriana Jatamansi]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20071101 |
| Control of development and valepotriate production by auxins in micropropagated Valeriana glechomifolia. | Plant cell reports 20041001 |
| New Rev-transport inhibitor with anti-HIV activity from Valerianae Radix. | Bioorganic & medicinal chemistry letters 20021021 |
| Quantitative determination of valepotriates from Valeriana native to South Brazil. | Planta medica 20020601 |
| Effect of valerian, Valeriana edulis, on sleep difficulties in children with intellectual deficits: randomised trial. | Phytomedicine : international journal of phytotherapy and phytopharmacology 20020501 |
| Comparative study of differentiation levels and valepotriate content of in vitro cultures and regenerated and wild plants of Valeriana edulis ssp.procera. | Journal of natural products 20020401 |
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