기본 정보
- CAS
62640-13-5- 표준 SMILES
C=C1C(C2(C)C(OC(C)=O)CC(=O)OCC3(C)OC(=O)CC32)C(OC=O)C(OC(=O)C(OC(C)=O)C(C)CC)C2(C)C(c3ccoc3)CC3OC132- InChIKey
BILAMKFGAFCWCS-UHFFFAOYSA-N- 분자식
- C37H46O14
- 평균 분자량
- 714.8 g/mol
- 단동위원소 질량
- 714.28875614
개요
Dregeanin has been reported in Leplaea thompsonii and Trichilia dregeana with data available.
이름 및 식별자
- 우선 이름
- [6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-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-acetyloxy-3-methylpentanoate
- IUPAC
- [6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-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-acetyloxy-3-methylpentanoate
이름 및 동의어
62640-13-5NSC324050DREGEANIN[6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-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-acetyloxy-3-methylpentanoateDTXSID30330862NSC-3240506-[5-(Acetyloxy)-4,9a-dimethyl-2,7-dioxooctahydro-2H-furo[2,3-c]oxocin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylideneoctahydroindeno[1,7a-b]oxiren-4-yl 2-(acetyloxy)-3-methylpentanoate
데이터베이스 식별자
- CAS
62640-13-5- PubChem CID
- 433157
- DTXSID
DTXSID30330862
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 183 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,490
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