7-O-palmitoyl okadaic acid
Product Code
CIF-CRM-02-DTX3A
Product Format
Single Solution
Matrix
Methanol
Molecular Formula
C60 H97 O14 . Na
Molecular Weight
1065.39
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Product Information
Analyte Name
7-O-palmitoyl okadaic acid
Molecular Formula
C60 H97 O14 . Na
Molecular Weight
1065.39
Concentration
7.97 µg/g
Accurate Mass
1064.6776
SMILES
[Na+].CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@H](C[C@@](C)(O)C(=O)[O-])O[C@]12O[C@@H](CC(=C2)C)[C@H](C)\C=C\[C@H]3CC[C@@]4(CCC5O[C@H]([C@@H](O)C[C@H](C)C6O[C@@]7(CCCCO7)CC[C@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3
InChI
/h24-25,38,41-43,45-50,52-55,61,63,66H,6,8-23,26-37,39H2,1-5,7H3,(H,64,65), /t41-,42-,43+,45+,46+,47+,48?,49+,50-,52-,53?,54+,55-,57-,58+,59-,60-, /m1./s1, /q, InChI=1S/C60H98O14.Na/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-23-51(62)69-50-27-26-46(39-57(7,66)56(64)65)71-60(50)38-40(2)36-49(72-60)41(3)24-25-45-29-33-59(70-45)34-30-48-55(74-59)52(63)44(6)54(68-48)47(61)37-43(5)53-42(4)28-32-58(73-53)31-21-22-35-67-58, +1/p-1/b25-24+
IUPAC
sodium;(2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4aS,6R)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hexadecanoyloxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoate
Storage Temperature
-80°C
Shipping Temperature
-80°C
Country of Origin
SPAIN
Product Format
Single Solution
Matrix
Methanol