Obacunon
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Product Description
Product
Obacunon
CAS
751-03-1
Formula
C26H30O7
Synonym
OBACUNON; Obacunone; Oxireno(4,4A)-2-benzopyrano(6,5-G)(2)benzoxepin-3,5,9(3ah,4bh,6H)-trione, 1-(3-furanyl)-1,6A,7,11A,11B,12,13,13A-octahydro-4B,7,7,11A,13A-pentamethyl-, (1S,3as,4ar,4br,6ar,11ar,11br,11br,13as)-; Tricoccin S3; Ai3-37934; CCRIS 8657; Obacunoic acid e-lactone; Obacunoic acid, eta-lactone
Typical Product Specifications
Molecular weight
454.52
SMILES
O1C(C=C[C@@]2([C@@H]3[C@@](C(C[C@@H]2C1(C)C)=O)([C@]12[C@H](C(O[C@H]([C@]2(C)CC3)c2cocc2)=O)O1)C)C)=O
InChI
MAYJEFRPIKEYBL-OASIGRBWSA-N
InChIKey
1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
Class
Obacunon
Product Description
Product
Obacunon
CAS
751-03-1
Formula
C26H30O7
Synonym
OBACUNON; Obacunone; Oxireno(4,4A)-2-benzopyrano(6,5-G)(2)benzoxepin-3,5,9(3ah,4bh,6H)-trione, 1-(3-furanyl)-1,6A,7,11A,11B,12,13,13A-octahydro-4B,7,7,11A,13A-pentamethyl-, (1S,3as,4ar,4br,6ar,11ar,11br,11br,13as)-; Tricoccin S3; Ai3-37934; CCRIS 8657; Obacunoic acid e-lactone; Obacunoic acid, eta-lactone
Typical Product Specifications
Molecular weight
454.52
SMILES
O1C(C=C[C@@]2([C@@H]3[C@@](C(C[C@@H]2C1(C)C)=O)([C@]12[C@H](C(O[C@H]([C@]2(C)CC3)c2cocc2)=O)O1)C)C)=O
InChI
MAYJEFRPIKEYBL-OASIGRBWSA-N
InChIKey
1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
Class
