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AG003AXF

78111-17-8 | Okadaic Acid

Chemical structure of Okadaic Acid, CAS 78111-17-8
AG003AXF
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CAS Number 78111-17-8
Catalog Number AG003AXF(AGN-PC-0UCZXC)
Chemical Name Okadaic Acid
IUPAC Name (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
InChI InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1
InChI Key QNDVLZJODHBUFM-WFXQOWMNSA-N
MDL Number MFCD00083455
Molecular Formula C44H68O13
Molecular Weight 805.0029
SMILES [H]C5(OC1(OC2([H])(C([H])(O)C(=C)C([H])(OC2([H])(CC1))C([H])(O)CC([H])(C)C4([H])(OC3(OCCCC3)CCC4([H])(C))))(CC5))(C=CC([H])(C)C7([H])(OC6(OC([H])(CCC6([H])(O))CC(O)(C(=O)O)C)(C=C(C)C7)))
UNII 1W21G5Q4N2
Synonyms
Acid, Ocadaic, Acid, Okadaic, Ocadaic Acid, Okadaic Acid, okadaic acid, 78111-17-8, MFCD00083455, CHEMBL280487, CHEBI:44658, 9,10-Deepithio-9,10-didehydroacanthifolicin, C44H68O13, Ocadaic Acid, (2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid, OKA, UNII-1W21G5Q4N2, CCRIS 3329, HSDB 7243, 1W21G5Q4N2, 1jk7, Acanthifolicin, 9,10-deepithio-9,10-didehydro-, AC1L9JRC, Probes1_000180, SCHEMBL131485, CHEMBL158524, GTPL5349, 1u32, BDBM50097634, BDBM50110676, ZINC85601542, DB02169, LS-7835, Okadaic acid from Prorocentrum concavum, S-7783, Okadaic acid from Prorocentrum concavum, 92-100% (HPLC), Okadaic acid from Prorocentrum concavum, >=90% (HPLC), translucent film, (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid, (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-hydroxy-2-methylpropanoic acid, Acid, Ocadaic, Acid, Okadaic, okadaic acid analogue, D01SLG, CID446512, Okadaic acid, 98% - 100UG 100ug, V0149, D019319, OA,

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    CERTIFICATE OF ANALYSIS
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited