Desoxy-14,15-epoxyprieurianin
기본 정보
- CAS
82543-30-4- 표준 SMILES
C=C1C([C@@]2(C)[C@@H](OC(C)=O)CC(=O)O[C@](C)(COC(C)=O)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132- InChIKey
ODQAMASOLVEWMG-LESBUSBKSA-N- 분자식
- C38H50O15
- 평균 분자량
- 746.8 g/mol
- 단동위원소 질량
- 746.31497088
개요
Desoxy-14,15-epoxyprieurianin has been reported in Munronia pinnata with data available.
이름 및 식별자
- 우선 이름
- Desoxy-14,15-epoxyprieurianin
- IUPAC
- [(1aR,3S,3aR,4R,5R,7aS)-6-[(2S,3R,4R,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
이름 및 동의어
Desoxy-14,15-epoxyprieurianinPrieurianin, desoxy-14,15-epoxy-NSC 32951182543-30-4A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-14,15:21,23-diepoxy-11-(formyloxy)-12-((2-hydroxy-3-methyl-1-oxopentyl)oxy)-4a-methyl-3-oxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,15beta,17alpha)-(6-(5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno(1,7a-b)oxiren-4-yl) 2-hydroxy-3-methylpentanoate[6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-hydroxy-3-methylpentanoateRefChem:132284
데이터베이스 식별자
- CAS
82543-30-4- PubChem CID
- 91809635
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 204 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,500
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…