CAS 106434-14-4 2-epi-Abamectin (HCID 178947002)

기본 정보

CAS: 106434-14-4
표준 SMILES: CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2
InChIKey: RRZXIRBKKLTSOM-TYECJXEWSA-N
분자식: C48H72O14
평균 분자량: 873.1 g/mol

이름 및 식별자

우선 이름: 2-epi-Abamectin
IUPAC: (1'S,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
영어명: Avermectin B1a, epi-
분자식: C48H72O14
분자량: 873.09

이름 및 동의어

2-epi-AbamectinAvermectin B1a, epi-PD117393HY-138149CS-0145512epi-Avermectin B1aAvermectin A1a, 5-O-demethyl-, (2S)-Cinchocaine Impurity 1 ( Cinchocaine EP Impurity A )

데이터베이스 식별자

CAS: 106434-14-4

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 170 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 14
회전 가능 결합 수: 8
무거운 원자 수: 62
형식 전하: 0
복잡도: 1,730

물리화학적 성질

끓는 점: 940.9 · 940.9±65.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
물리적 상태: 고체
산도 계수 (pKa): 12.42 · 12.42±0.70(Predicted)

화학 및 산업

응용 분야 · 1건

용도epi-Avermectin B1a is a base-catalysed intermediate in the decomposition of avermectin B1a. epi-Avermectin B1a is formed by epimerisation at the 2-position which ultimately rearranges irreversibly to the isomeric alkene analogue, Δ2-avermectin B1a. epi-Avermectin B1a is only very weakly active as a nematocide showing ~100-fold loss of biological activity compared with the parent avermectin. epi-Avermectin B1a is formed in vivo following treatment with avermectin and is an environmental degradation product.

공급사12 곳

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

上海维亦特生物科技有限公司15317051735 · [email protected]

湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

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