Acevaltrate

Acevaltrate
Names
	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-acetyloxy-3-methylbutanoate
	Other names Acetoxyvaltrate; Acetovaltrate
Identifiers
CAS Number	25161-41-5 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL563350;
ChemSpider	59141;
ECHA InfoCard	100.042.426
EC Number	246-685-1;
PubChem CID	65717;
UNII	S9MFK45GY9 ;
CompTox Dashboard (EPA)	DTXSID30179834 ;
	InChI InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1 Key: FWKBQAVMKVZEOT-STCFVSJZSA-N; InChI=1/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1 Key: FWKBQAVMKVZEOT-STCFVSJZBV;
	SMILES CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C;
Properties
Chemical formula	C24H32O10
Molar mass	480.510 g·mol−1
Melting point	80–81 °C (176–178 °F; 353–354 K)[1]
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Acevaltrate is an iridoid isolated from Valeriana glechomifolia.[2]

References

Huang, Bao-Kang; Qin, Lu-Ping; Liu, Yu-Ming; Zhang, Qiao-Yan; Zheng, Han-Chen (14 August 2009). "Sesquiterpene and iridoids from Valeriana pseudofficinalis roots". Chemistry of Natural Compounds. 45 (3): 363–366. doi:10.1007/s10600-009-9344-8.
Bettero, GM; Salles, L; Rosário Figueira, RM; Poser, Gv; Rates, SM; Noël, F; Quintas, LE (2011). "In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases". Planta Medica. 77 (15): 1702–6. doi:10.1055/s-0030-1271084. PMID 21567360.

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