사이토바리신
(9E,21Z)-3,14,15,17,19,20-hexahydroxy-6'-(2-hydroxybutyl)-16-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
기본 정보
- CAS
79553-45-0- 표준 SMILES
CCC(O)CC1OC2(CCC1C)CC1OC(=O)/C=C\C(C)(O)C(O)C(C)C(O)C(OC3CC(OC)C(O)C(C)O3)C(O)C(C)(O)CCC/C=C/C3CC(C)COC3(O)CC(O2)C1C- InChIKey
NORZLTHXFWGSAT-IMOQJAIBSA-N- 분자식
- C47H80O16
- 평균 분자량
- 901.1 g/mol
- 단동위원소 질량
- 900.54463646
이름 및 식별자
- 우선 이름
- (9E,21Z)-3,14,15,17,19,20-hexahydroxy-6'-(2-hydroxybutyl)-16-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
- IUPAC
- (9E,21Z)-3,14,15,17,19,20-hexahydroxy-6'-(2-hydroxybutyl)-16-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
- 현지명
- 사이토바리신
- 영어명
- cytovaricin
- 분자식
- C47H80O16
- 분자량
- 901.13
이름 및 동의어
NSC349622CHEMBL1980047NSC-349622(9E,21Z)-3,14,15,17,19,20-hexahydroxy-6'-(2-hydroxybutyl)-16-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one사이토바리신cytovaricinSpiro[21,25-methano-2H,19H,23H-pyrano[2,3-h][1,5]dioxacyclotetracosin-23,2'-[2H]pyran]-19-one, 12-[(2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-3,3',4,4',4a,5',6',7,8,9,10,11,12,13,14,15,16,21,22,25,26,26a-docosahydro-10,11,13,15,16,26a-hexahydroxy-6'-[(2R)-2-hydroxybutyl]-3,5',10,14,16,27-he...
데이터베이스 식별자
- CAS
79553-45-0- PubChem CID
- 5477715
- ChEMBL
CHEMBL1980047
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 244 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,530
관련 반응
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