기본 정보
- CAS
15575-68-5- 표준 SMILES
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1O- InChIKey
HKXQUNNSKMWIKJ-WCQYABFASA-N- 분자식
- C14H14O5
- 평균 분자량
- 262.26 g/mol
- 단동위원소 질량
- 262.08412354
개요
(-)-trans-Khellactone has been reported in Citrus japonica, Citrus tamurana, and other organisms with data available.
이름 및 식별자
- 우선 이름
- (9R,10S)-9,10-Dihydroxy-8,8-Dimethyl-9,10-Dihydropyrano(2,3-F)Chromen-2-One
- IUPAC
- (9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
- 영어명
- (9R)-8,8-Dimethyl-9α,10β-dihydroxy-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
- 분자식
- C14H14O5
- 분자량
- 262.26
이름 및 동의어
(9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one(9R,10S)-9,10-Dihydroxy-8,8-Dimethyl-9,10-Dihydropyrano(2,3-F)Chromen-2-OneRefChem:1050759trans-Khellactone(-)-trans-khellactone23458-04-015575-68-5trans-(-)-KhellactoneCIJ6HK1AGB(+/-)-trans-KhellactoneKhellactone, trans-(-)-trans-(+/-)-Khellactone
이름 더 보기
9,10-Dihydro-9α,10β-dihydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one(9R)-8,8-Dimethyl-9α,10β-dihydroxy-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R,10S)-[9R,10S,(-)]-9,10-Dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
17SSV9BI4TKhellactone, trans-(+/-)-(9R,10S)-9,10-Dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R,10S)-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R,10S)-rel-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R-trans)-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, trans-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, trans-(-)-
데이터베이스 식별자
- CAS
15575-68-5、23458-04-0- PubChem CID
- 9992853
- ChEMBL
CHEMBL72096- UNII
- 17SSV9BI4T、CIJ6HK1AGB
- Nikkaji
- J16.482H
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 416
물리화학적 성질
- 녹는점
- 184.5 · 184.5-186.0℃
- 끓는 점
- 424.752 · 424.752±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.4 · 1.400±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.128 · 13.128±0.60(predicted)
화학 및 산업
공급사16 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…