(3S,4'S,6S,10'E,12'S,13'S,14'E,16'E,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(4S,5S,6S)-5-[(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
기본 정보
- 표준 SMILES
CCC(C)C1O[C@]2(C=C[C@@H]1C)C[C@@H]1CC(C/C=C(\C)[C@@H](OC3C[C@H](OC)[C@@H](OC4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\COC4[C@H](O)C(C)=CC(C(=O)O1)[C@]34O)O2- InChIKey
RRZXIRBKKLTSOM-HVJGFLBESA-N- 분자식
- C48H72O14
- 평균 분자량
- 873.1 g/mol
개요
See also: avermectin B1a (annotation moved to).
이름 및 식별자
- 우선 이름
- (3S,4'S,6S,10'E,12'S,13'S,14'E,16'E,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(4S,5S,6S)-5-[(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
- IUPAC
- (3S,4'S,6S,10'E,12'S,13'S,14'E,16'E,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(4S,5S,6S)-5-[(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
이름 및 동의어
CHEMBL158698RRZXIRBKKLTSOM-HVJGFLBESA-N
데이터베이스 식별자
- PubChem CID
- 44372930
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 170 Ų
- 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
관련 반응
1건
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