Valtrate
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Product Description
Product
Valtrate
CAS
18296-44-1
Formula
C22H30O8
Synonym
Valtrate; VALTRATE(P); VALTRATE(P)(PLEASE CALL); Valtrato; Valtrato [INN-Spanish]; Valtrats; Valtrats [German]; Valtratum; Valtratum [INN-Latin]; (1S,7R)-4-Acetoxymethyl-6,7aa-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1a,6a-diol 1,6-bis(3-methylbutanoate); (7S)-4-Acetoxymethyl-1,6,7,7a-tetrahydro-1alpha,6alpha-bis(isovaleroyl)cyclopent(c)pyran-7-spiro-2-oxiran; [(1S,6S,7aS)-4-(Acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate; 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7-(6H),2'-oxirane)-4-methanol 4-acetate 1,6-diisovalerate; 3a,4-Dihydro-3,4-dihydroxyspiro(benzofuran-2(3H),2'-oxirane)-6-methanol 6-acetate 3,4-diisovalerate; 4-Acetoxymethyl-1,6,7,7a-tetrahydro-1,6-bis(isovaleryloxy)cyclopenta(c)pyran-7-spiro-2'-oxiran; Baldrisedon; Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-; CCRIS 5795; EINECS 242-174-2; Halazuchrome B; UNII-L3JQ035X9B; Valepotriate; ValepotriatuM
Typical Product Specifications
Molecular weight
422.47
EINECS
242-174-2
SMILES
C1=2[C@H]([C@@H](OC=C1COC(=O)C)OC(CC(C)C)=O)[C@@]1([C@H](C2)OC(CC(C)C)=O)OC1
InChI
BDIAUFOIMFAIPU-KVJIRVJXSA-N
InChIKey
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
Chemical Structure
Class
Valtrate
Product Description
Product
Valtrate
CAS
18296-44-1
Formula
C22H30O8
Synonym
Valtrate; VALTRATE(P); VALTRATE(P)(PLEASE CALL); Valtrato; Valtrato [INN-Spanish]; Valtrats; Valtrats [German]; Valtratum; Valtratum [INN-Latin]; (1S,7R)-4-Acetoxymethyl-6,7aa-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1a,6a-diol 1,6-bis(3-methylbutanoate); (7S)-4-Acetoxymethyl-1,6,7,7a-tetrahydro-1alpha,6alpha-bis(isovaleroyl)cyclopent(c)pyran-7-spiro-2-oxiran; [(1S,6S,7aS)-4-(Acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate; 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7-(6H),2'-oxirane)-4-methanol 4-acetate 1,6-diisovalerate; 3a,4-Dihydro-3,4-dihydroxyspiro(benzofuran-2(3H),2'-oxirane)-6-methanol 6-acetate 3,4-diisovalerate; 4-Acetoxymethyl-1,6,7,7a-tetrahydro-1,6-bis(isovaleryloxy)cyclopenta(c)pyran-7-spiro-2'-oxiran; Baldrisedon; Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-; CCRIS 5795; EINECS 242-174-2; Halazuchrome B; UNII-L3JQ035X9B; Valepotriate; ValepotriatuM
Typical Product Specifications
Molecular weight
422.47
EINECS
242-174-2
SMILES
C1=2[C@H]([C@@H](OC=C1COC(=O)C)OC(CC(C)C)=O)[C@@]1([C@H](C2)OC(CC(C)C)=O)OC1
InChI
BDIAUFOIMFAIPU-KVJIRVJXSA-N
InChIKey
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
Chemical Structure
Class
