Chemistry:Acevaltrate

Acevaltrate

Names
Preferred IUPAC name (1S,2′R,6S,7aS)-4-[(Acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2′-oxiran]-6-yl 3-(acetyloxy)-3-methylbutanoate
Other names Acetoxyvaltrate; Acetovaltrate
Identifiers
CAS Number	25161-41-5 Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL563350
ChemSpider	59141
EC Number	246-685-1
PubChem CID	65717
UNII	S9MFK45GY9 Y
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)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Tracking categories (test):

• SizeSet

Acevaltrate is an iridoid isolated from Valeriana glechomifolia.