기본 정보
- CAS
123266-22-8- 표준 SMILES
CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1- InChIKey
DGQPZGGOYKKJLX-UHFFFAOYSA-N- 분자식
- C35H64O7
- 평균 분자량
- 596.9 g/mol
- 단동위원소 질량
- 596.46520438
개요
Isoannonacin has been reported in Annona muricata, Asimina angustifolia, and other organisms with data available.
이름 및 식별자
- 우선 이름
- annonacin-A-one
- IUPAC
- 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
- 영어명
- 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-o xopropyl)oxolan-2-one
- 분자식
- C35H64O7
- 분자량
- 596.88
이름 및 동의어
Annonacin-A-one170900-30-8RefChem:915911Isoannonacin ANSC6185715-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one5-{6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL}-3-(2-OXOPROPYL)OXOLAN-2-ONE5-[6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL]-3-(2-O XOPROPYL)OXOLAN-2-ONECHEMBL446074SCHEMBL31497489DTXSID50937857LMFA05000669
이름 더 보기
Annonacin-A-one Gold Supplier2(3H)-Furanone, 5-[6,11-dihydroxy-11-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]undecyl]dihydro-3-(2-oxopropyl)-, [2R-[2α[1(3S*,5R*),6R*,9R*],5β(S*)]]- (9CI)
NSC-6185715-(6,11-Dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-2(3H)-furanone (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-NCI60_005598Q576176192(3H)-Furanone, 5-(6,11-dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-, (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-3-acetonyl-5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one5-(6,11-Dihydroxy-11-(5-(1-hydroxytridecyl)tetrahydro-2-furanyl)undecyl)-3-(2-oxopropyl)dihydro-2(3H)-furanone
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 713
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Melting Point91 - 92 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsMembrane
공급사1 곳
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…