기본 정보
- CAS
97411-46-6- 표준 SMILES
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(O)CO- InChIKey
TZHMQUSSYNZSTA-SFHVURJKSA-N- 분자식
- C18H16O5
- 평균 분자량
- 312.3 g/mol
개요
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione has been reported in Salvia miltiorrhiza with data available.
이름 및 식별자
- 우선 이름
- (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro(1,2-b)furan-10,11-dione
- IUPAC
- (6R)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
- 영어명
- (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione
- 분자식
- C18H16O5
- 분자량
- 312.32
이름 및 동의어
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(6R)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione(6R)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho(1,2-g)(1)benzofuran-10,11-dione(6S)-6,7,8,9-TETRAHYDRO-6-HYDROXY-6-HYDROXYMETHYL-1-METHYLPHENANTHRO(1,2-B)FURAN-10,11-DIONERefChem:19652697411-46-6orb1681614TN5095AKOS040762393HY-123895CS-0086773Tanshindiol A
이름 더 보기
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenthro[1,2-b]furan-10,11-dione6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione(6R)-6,7,8,9-Tetrahydro-6-hydroxy-6-(hydroxymethyl)-1-methyl-phenanthro[1,2-b]furan-10,11-dionePhenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-6-hydroxy-6-(hydroxymethyl)-1-methyl-, (6R)-
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 532
물리화학적 성질
- 끓는 점
- 598.914 · 598.914±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.426 · 1.426±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.465 · 13.465±0.20(predicted)
- 색상
- 빨간색
화학 및 산업
공급사24 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
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