[(9E,19E)-26-[(E)-(cycloheptylhydrazinylidene)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
기본 정보
- CAS
38136-03-7- 표준 SMILES
COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C- InChIKey
JUKDSWOKBSKEJZ-KRAPNDRXSA-N- 분자식
- C45H61N3O12
- 평균 분자량
- 836 g/mol
- 단동위원소 질량
- 835.42552439
이름 및 식별자
- 우선 이름
- [(9E,19E)-26-[(E)-(cycloheptylhydrazinylidene)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
- IUPAC
- [(9E,19E)-26-[(E)-(cycloheptylhydrazinylidene)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
이름 및 동의어
38136-03-7DTXSID00713385NSC143486NSC-143486(8Z,14E,24E)-8-[(2-Cycloheptylhydrazin-1-yl)methylidene]-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate(8Z,14E,24E)-8-[(2-Cycloheptylhydrazinyl)methylidene]-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
데이터베이스 식별자
- CAS
38136-03-7- PubChem CID
- 135534682
- DTXSID
DTXSID00713385
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 226 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,610
관련 반응
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