Home > Product Catalog > All > 2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15

2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15

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Catalog No. : NC23272

CAS No. : 136448-58-3

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Molecular Formula : C₄₇H₆₈O₁₈

Chemical Name : 2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15

Molecular Weight : 921.03

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Standard English name
Cas No.	136448-58-3
Alias	2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15
Canonical Smiles	CC(=O)OC1CC2CC(O)CC(=O)OC(CC3CC(=CC(=O)OC)C(OC(=O)C=CC=CC(O)CC)C(O)(O3)C(C)(C)C=CC3CC(CC(CC(O)(O2)C1(C)C)O3)=CC(=O)OC)C(C)O
MDL No.
Exact Mass	920.44057
Smiles	O=C(OC)C=C1CC2OC(C1)CC3(O)OC(CC(O)CC(=O)OC(CC4OC(O)(C(OC(=O)C=CC=CC(O)CC)C(=CC(=O)OC)C4)C(C=C2)(C)C)C(O)C)CC(OC(=O)C)C3(C)C

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Inchi	InChI=1S/C47H68O18/c1-10-31(50)13-11-12-14-39(52)63-43-30(21-41(54)59-9)20-34-24-37(27(2)48)62-42(55)23-32(51)22-35-25-38(60-28(3)49)45(6,7)46(56,64-35)26-36-18-29(19-40(53)58-8)17-33(61-36)15-16-44(4,5)47(43,57)65-34/h11-16,19,21,27,31-38,43,48,50-51,56-57H,10,17-18,20,22-26H2,1-9H3
InchiKey	FHGLMEYTRPWSLO-UHFFFAOYSA-N
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