(±)-torreyanic acid
group of stereoisomers
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(±)-torreyanic acid
Summary
(±)-torreyanic acid is a group of stereoisomers[1].
Key Facts
- (±)-torreyanic acid's instance of is recorded as group of stereoisomers[2].
- (±)-torreyanic 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].
- (±)-torreyanic 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-/m0/s1[4].
- (±)-torreyanic acid's InChIKey is recorded as DQBVXDMPCDAQGS-MBKAVXJQSA-N[5].
- (±)-torreyanic acid's chemical formula is recorded as C₃₈H₄₄O₁₂[6].
- (±)-torreyanic acid's subclass of is recorded as (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[7].
- (±)-torreyanic acid's subclass of is recorded as 4-[4-(3-Carboxybut-2-enyl)-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[8].
- (±)-torreyanic acid's Commons category is recorded as Torreyanic acid[9].
- (±)-torreyanic acid's Freebase ID is recorded as /m/0c41qb1[10].
- (±)-torreyanic acid's PubChem CID is recorded as 139584200[11].
- (±)-torreyanic acid's ChEBI ID is recorded as 200984[12].
- (±)-torreyanic acid's isomeric SMILES is recorded as CCCCC[C@@H]1OC2C3=C(C(=O)[C@@]4(C/C=C(\C)C(=O)O)O[C@H]4C3=O)[C@H]1[C@@H]1C@@HOC=C3C(=O)[C@@H]4O[C@]4(C/C=C(\C)C(=O)O)C(=O)[C@]321C@@HOC=C3C(=O)[C@@H]4O[C@]4(C/C=C(\C)C(=O)O)C(=O)[C@]321">[13].
- (±)-torreyanic acid's mass is recorded as {'unit': 'Q483261', 'amount': '+692.283276848'}[14].
- (±)-torreyanic acid's Microsoft Academic ID is recorded as 2778789154[15].
- (±)-torreyanic acid's Natural Product Atlas ID is recorded as NPA003989[16].
- (±)-torreyanic acid's UniChem compound ID is recorded as 170907695[17].