17-Ethyl-1,14-dihydroxy-12-[2'-(4"-cinnamyloxy-3"-methoxycyclohexyl)-1'-methylvinyl]-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

HCID 57096563

기본 정보

표준 SMILES
CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC=Cc4ccccc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC
InChIKey
ZUXJJYAWLKZHSP-UHFFFAOYSA-N
분자식
C52H77NO12
평균 분자량
908.2 g/mol
단동위원소 질량
907.54457689

이름 및 식별자

우선 이름
17-Ethyl-1,14-dihydroxy-12-[2'-(4"-cinnamyloxy-3"-methoxycyclohexyl)-1'-methylvinyl]-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
17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[1-[3-methoxy-4-(3-phenylprop-2-enoxy)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

이름 및 동의어

ZUXJJYAWLKZHSP-UHFFFAOYSA-N17-Ethyl-1,14-dihydroxy-12-[2'-(4"-cinnamyloxy-3"-methoxycyclohexyl)-1'-methylvinyl]-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

데이터베이스 식별자

PubChem CID
57096563

물성

구조 계산 물성

XLogP
5.2
극성 표면적
167 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
10
무거운 원자 수
65

관련 반응

10건

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