기본 정보
- CAS
268214-50-2- 표준 SMILES
C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@H](C)CC/C=C(\C)C=O)CC[C@@]35C)C[C@]4(CCC(=O)OC)[C@H]12- InChIKey
FPFAZZFTBDKRJL-PXERRMOCSA-N- 분자식
- C31H44O5
- 평균 분자량
- 496.7 g/mol
- 단동위원소 질량
- 496.3188745
개요
methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0¹,³.0⁴,⁸.0¹¹,¹⁵]heptadecan-3-yl]propanoate has been reported in Gardenia sootepensis, Gardenia coronaria, and Gardenia tubifera with data available.
이름 및 식별자
- 우선 이름
- Coronalolide methyl ester
- IUPAC
- methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-5-methylidene-14-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate
- 영어명
- Coronalolide methyl ester
- 분자식
- C31H44O5
- 분자량
- 496.68
이름 및 동의어
Coronalolide methyl esterCoronalolide methyl este268214-50-2methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-5-methylidene-14-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoateCHEMBL563275orb16829001H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoic acid, 4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexenyl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR); NSC 680073HY-N3627NSC680073TN3705AKOS040761531FS-9691
이름 더 보기
NSC 6800731H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoic acid, 4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexen-1-yl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)-
NSC-680073CS-0023961methyl 3-[[(E,1R)-1,5-dimethyl-6-oxo-hex-4-enyl]-dimethyl-methylene-oxo-[?]yl]propanoate1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoic acid, 4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexenyl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)-
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 69.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,010
화학 및 산업
공급사22 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
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雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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