기본 정보
- CAS
69687-69-0- 표준 SMILES
COC(=O)C12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24- InChIKey
JMEAKUYWADWLJX-NTTKDRKVSA-N- 분자식
- C32H42O16
- 평균 분자량
- 682.7 g/mol
- 단동위원소 질량
- 682.24728525
개요
Bruceoside B has been reported in Brucea mollis and Brucea javanica with data available.
이름 및 식별자
- 우선 이름
- Bruceoside B
- IUPAC
- methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
- 현지명
- 브루세오사이드B
- 영어명
- bruceoside B
- 분자식
- C32H42O16
- 분자량
- 682.67
이름 및 동의어
Bruceoside B69687-69-0Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylatePicras-3-en-21-oic acid, 11,12-dihydroxy-2,16-dioxo-13,20-epoxy-3-(beta-D-glucopyranosyloxy)-15-((3-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (11-beta,12-alpha,15-beta)-DTXSID60989847Methyl (13xi)-3-(beta-D-glucopyranosyloxy)-11beta,12alpha-dihydroxy-15beta-[(3-methylbut-2-enoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oateMethyl 3-(hexopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbut-2-enoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate브루세오사이드BJavanicoside A15-(3-Methyl-2-butanoyl)bruceolide 3-O-β-D-glucopyranoside2,16-Dioxo-3-(β-D-glucopyranosyloxy)-13,20-epoxy-15β-(3-methyl-2-butenoyloxy)-11β,12α-dihydroxypicras-3-en-21-oic acid methyl ester13,20-Epoxy-3-(β-D-glucopyranosyloxy)-11β,12α-dihydroxy-15β-(3-methyl-2-butenoyloxy)-2,16-dioxopicrasa-3-ene-21-oic acid methyl ester
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 245 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,450
화학 및 산업
공급사13 곳
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
成都昂赛思生物科技有限公司13518187787 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…