기본 정보
- CAS
59795-94-7- 표준 SMILES
COc1oc(C2C/C(=C/C(C)=C/C(C)=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C- InChIKey
IZICQJAGBLBAMJ-MNOZRKQQSA-N- 분자식
- C28H31NO6
- 평균 분자량
- 477.5 g/mol
- 단동위원소 질량
- 477.21513771
개요
spectinabilin has been reported in Streptomyces spectabilis with data available.
이름 및 식별자
- 우선 이름
- 2-Methoxy-3,5-dimethyl-6-((2R,4Z)-tetrahydro-4-((2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrien-1-ylidene)-2-furanyl)-4H-pyran-4-one
- IUPAC
- 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one
- 영어명
- (+)-2-Methoxy-3,5-dimethyl-6-[tetrahydro-4-[(1Z,2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]furan-2-yl]-4H-pyran-4-one
- 분자식
- C28H31NO6
- 분자량
- 477.55
이름 및 동의어
Spectinabilin59795-94-7NH93BW6NAQ2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-oneDTXSID101043872NSC-2601792-methoxy-3,5-dimethyl-6-((4Z)-4-((2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene)oxolan-2-yl)pyran-4-oneRefChem:909999DTXCID6015263002-METHOXY-3,5-DIMETHYL-6-((2R,4Z)-TETRAHYDRO-4-((2E,4E,6E)-2,4,6-TRIMETHYL-7-(4-NITROPHENYL)-2,4,6-HEPTATRIEN-1-YLIDENE)-2-FURANYL)-4H-PYRAN-4-ONE(+)-spectinabilinCHEBI:142841
이름 더 보기
(+)-2-Methoxy-3,5-dimethyl-6-[tetrahydro-4-[(1Z,2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene]furan-2-yl]-4H-pyran-4-one4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[(2R,4Z)-tetrahydro-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrien-1-ylidene]-2-furanyl]-
UNII-NH93BW6NAQNSC260179NSC 2601794H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-((4Z)-tetrahydro-4-((2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene)-2-furanyl)-Neoaureothin*(+)-2-Methoxy-3,5-dimethyl-6-[4-[7-(4-nitrophenyl)-2,4,6-trimethyl-2,4,6-heptatrienylidene]tetrahydrofuran-2-yl]-4H-pyran-4-one28900-27-8CHEMBL2005277
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 90.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 1,040
물리화학적 성질
- 끓는 점
- 660.7 · 660.7±55.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C,protect · Store at -20°C,protect from light
- 용해도
- DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
- 물리적 상태
- 고체
화학 및 산업
공급사9 곳
北京百奥创新科技有限公司15522676233 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
武汉丽合智造生物科技有限公司18971458902 · [email protected]
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