기본 정보
- CAS
131929-66-3- 표준 SMILES
CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5O)C[C@@H]34)[C@@H]2CC(=O)O1- InChIKey
IOCQRADVOJDJIS-SGFJDKLNSA-N- 분자식
- C40H63NO10
- 평균 분자량
- 717.9 g/mol
- 단동위원소 질량
- 717.44519722
개요
Spinosyn H is a macrolide.
이름 및 식별자
- 우선 이름
- Spinosyn H
- IUPAC
- (1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-[(2R,3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
이름 및 동의어
Spinosyn H958UE6JXM2DTXSID401343061131929-66-3spinosyn-HRefChem:184713DTXCID401772024SCHEMBL29931088CHEBI:80038IOCQRADVOJDJIS-SGFJDKLNSA-NA83543HA-83543H
이름 더 보기
Q27149187(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-[(2R,3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2-[(6-Deoxy-3,4-di-O-methyl-alpha-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-1H-as-indaceno[3,2-d]oxacyclododecin-7,15-dione1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3,4-di-O-methyl-alpha-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-, (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-
데이터베이스 식별자
- CAS
131929-66-3- PubChem CID
- 23724546
- DTXSID
DTXSID401343061- ChEBI
CHEBI:80038- UNII
- 958UE6JXM2
- Nikkaji
- J1.291.808I
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,270
관련 반응
2건
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