기본 정보
- 표준 SMILES
C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OC(C)=O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC- InChIKey
GVZYXIFUAUDHFD-UHFFFAOYSA-N- 분자식
- C46H71NO13
- 평균 분자량
- 846.1 g/mol
이름 및 식별자
- 우선 이름
- 12-[2-(4-Acetoxy-3-methoxycyclohexyl)-1-methylvinyl]-17-allyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone
- IUPAC
- [4-[2-(1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-12-yl)prop-1-enyl]-2-methoxycyclohexyl] acetate
이름 및 동의어
SCHEMBL6368179GVZYXIFUAUDHFD-UHFFFAOYSA-N12-[2-(4-acetoxy-3-methoxycyclohexyl)-1-methylvinyl]-17-allyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone12-[2-(4-acetoxy-3-methoxycyclohexyl)-1-methylvinyl]-17-allyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone12-[2-(4-acetoxy-3-methoxycyclohexyl)-1-methylvinyl]-17-allyl-1,14-dihydroxy23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1 .04,9 ]octacos-18-ene-2,3,10,16-tetraone
데이터베이스 식별자
- PubChem CID
- 57294295
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 184 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,590
관련 반응
11건
화합물 노트
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