(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

HCID 44372930

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

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