(2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid
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(2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid
Summary
(2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid is a group of stereoisomers[1].
Key Facts
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's instance of is recorded as group of stereoisomers[2].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's canonical SMILES is recorded as O=C(O)C(=CCC12OC2C(=O)C3=C(C1=O)C4C(OC3C56C(=O)C7(OC7C(=O)C6=COC(CCCCC)C45)CC=C(C(=O)O)C)CCCCC)C[3].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's InChI is recorded as InChI=1S/C38H44O12/c1-5-7-9-11-21-23-24-25(28(40)32-36(49-32,29(24)41)15-13-18(3)33(42)43)30(48-21)38-20(17-47-22(26(23)38)12-10-8-6-2)27(39)31-37(50-31,35(38)46)16-14-19(4)34(44)45/h13-14,17,21-23,26,30-32H,5-12,15-16H2,1-4H3,(H,42,43)(H,44,45)/b18-13+,19-14+/t21?,22-,23?,26+,30?,31+,32+,36-,37+,38-/m1/s1[4].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's InChIKey is recorded as DQBVXDMPCDAQGS-YOWCJFHESA-N[5].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's chemical formula is recorded as C₃₈H₄₄O₁₂[6].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's subclass of is recorded as chemical compound[7].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's PubChem CID is recorded as 21722714[8].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's isomeric SMILES is recorded as CCCCCC1OC2C3=C(C(=O)[C@@]4(C/C=C(\C)C(=O)O)O[C@H]4C3=O)C1[C@@H]1C@@HOC=C3C(=O)[C@@H]4O[C@]4(C/C=C(\C)C(=O)O)C(=O)[C@@]321[9].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+692.283276848'}[10].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's SureChEMBL ID is recorded as 624552[11].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's DSSTox substance ID is recorded as DTXSID301029517[12].
- (2E)-4-[(2S,4S,6R,11R,12S,16S,18R)-4-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid's UniChem compound ID is recorded as 48846956[13].