기본 정보
- CAS
177535-00-1- 표준 SMILES
CCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCC[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)O1- InChIKey
LKDAOGFXLLFITJ-SZHFHKCNSA-N- 분자식
- C37H68O6
- 평균 분자량
- 608.9 g/mol
- 단동위원소 질량
- 608.50158988
개요
Longicoricin has been reported in Goniothalamus giganteus, Asimina angustifolia, and Asimina longifolia with data available.
이름 및 식별자
- 우선 이름
- Longicoricin
- IUPAC
- (2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
- 영어명
- 2(5H)-Furanone, 3-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxypentadecyl]-2-furanyl]tridecyl]-5-methyl-, (5S)-
- 분자식
- C37H68O6
- 분자량
- 608.93
이름 및 동의어
Longicoricin177535-00-1DTXSID50170328(2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one(2S)-4-((8R,13R)-8,13-dihydroxy-13-((2R,5R)-5-((1R)-1-hydroxypentadecyl)oxolan-2-yl)tridecyl)-2-methyl-2H-furan-5-oneRefChem:154014DTXCID60928192(5H)-Furanone, 3-((8R,13R)-8,13-dihydroxy-13-((2R,5R)-tetrahydro-5-((1R)-1-hydroxypentadecyl)-2-furanyl)tridecyl)-5-methyl-, (5S)-orb1696380SCHEMBL14666085AKOS040752665T32863
이름 더 보기
2(5H)-Furanone, 3-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxypentadecyl]-2-furanyl]tridecyl]-5-methyl-, (5S)-
(5S)-3-[(8R,13R)-8,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl}tridecyl]-5-methylfuran-2(5H)-one2(5H)-Furanone, 3-(8,13-dihydroxy-13-(tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl)tridecyl)-5-methyl-, (2R-(2alpha(1(S*),8R*,13R*),5beta(R*)))-
물성
구조 계산 물성
- XLogP
- 11
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 724
물리화학적 성질
- 끓는 점
- 744.6 · 744.6±45.0 °C(Predicted)
- 밀도
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.45 · 14.45±0.20(Predicted)
화학 및 산업
공급사2 곳
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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