Andirobin
기본 정보
- CAS
6488-63-7- 표준 SMILES
C=C1[C@@H]([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2CC(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]132- InChIKey
BFUCTROUWLSVBH-AZEZYXMUSA-N- 분자식
- C27H32O7
- 평균 분자량
- 468.5 g/mol
- 단동위원소 질량
- 468.21480336
개요
Andirobin has been reported in Soymida febrifuga and Carapa procera with data available.
이름 및 식별자
- 우선 이름
- Andirobin
- IUPAC
- methyl 2-[(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
이름 및 동의어
Andirobin6488-63-7methyl 2-((1R,2R)-2-((1aS,4S,4aS,7R,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno(2,3-d)isochromen-7-yl)-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl)acetatemethyl 2-((1R,2R)-2-((1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a-methyl-8-methylene-2-oxooctahydrooxireno(2,3-d)isochromen-7-yl)-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl)acetatemethyl 2-[(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetatemethyl 2-{(1R,2R)-2-[(1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a-methyl-8-methylene-2-oxooctahydrooxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetateRefChem:112596AndirolinNSC104301CHEMBL2373853SCHEMBL30189923DTXSID301318572
이름 더 보기
3-Cyclohexene-1-acetic acid, 2-[(1aS,4S,4aS,7R,8aS)-4-(3-furanyl)octahydro-4a-methyl-8-methylene-2-oxooxireno[d][2]benzopyran-7-yl]-2,6,6-trimethyl-5-oxo-, methyl ester, (1R,2R)-Methyl {(1R,2R)-2-[(1aS,4S,4aS,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxooctahydrooxireno[d][2]benzopyran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetatemethyl 2-[(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(3-furyl)-4a-methyl-8-methylene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxo-cyclohex-3-en-1-yl]acetate
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 95.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 981
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