7-O-(트리에틸실릴)-10-데아세틸바카틴III

7-O-(Triethylsilyl)-10-deacetyl Baccatin III

HCID 11734982
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
115437-18-8
표준 SMILES
CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C
InChIKey
HWHJTOVPIRHJCM-NIWDXWTNSA-N
분자식
C35H50O10Si
평균 분자량
658.8 g/mol
단동위원소 질량
658.31732433

이름 및 식별자

우선 이름
7-O-(Triethylsilyl)-10-deacetyl Baccatin III
IUPAC
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
현지명
7-O-(트리에틸실릴)-10-데아세틸바카틴III
영어명
7-O-(Triethylsilyl)-10-deacetyl Baccatin III
분자식
C35H50O10Si
분자량
658.85

이름 및 동의어

115437-18-87-O-(Triethylsilyl)-10-deacetyl Baccatin IIIDTXSID40471290RefChem:311149DTXCID40422106[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-4-[(triethylsilyl)oxy]-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one7-O-(Triethylsilyl)-10-deacetylbaccatin III7-(Triethylsilyl)-10-deacetylbaccatin IIIorb320670C35H50O10SiSCHEMBL7066594
이름 더 보기
7-O-(트리에틸실릴)-10-데아세틸바카틴III10-Deacetyl-7-triethylsilylbaccatin III7-O-Triethylsilyl-10-desacetylbaccatin IIIDEACETYLBACCATIN-III, 7-(triethylsil)-10-(RG)7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-4-[(triethylsilyl)oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
HWHJTOVPIRHJCM-NIWDXWTNSA-NMFCD03840551AKOS02529412110-deacetyl-7-triethylsilylbaccatine III7-(Triethylsilyl)-10-deacetyl baccatin III[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetoxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate4-(Acetyloxy)-1,10beta,13alpha-trihydroxy-9-oxo-7beta-[(triethylsilyl)oxy]-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate

데이터베이스 식별자

CAS
115437-18-8
PubChem CID
11734982
DTXSID
DTXSID40471290
Nikkaji
J1.004.431F

물성

구조 계산 물성

극성 표면적
149 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
10
무거운 원자 수
46

물리화학적 성질

녹는점
257 · 257-258 °C
끓는 점
715.717 · 715.717±60.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.253 · 1.253±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
용해도
클로로포름, 에틸아세테이트에 용해됨
물리적 상태
고체
산도 계수 (pKa)
11.46 · 11.460±0.70(predicted)

화학적 성질

WHite Solid

화학 및 산업

응용 분야

용도7-O-(Triethylsilyl)-10-deacetyl Baccatin III (cas# 115437-18-8_x000D_) is a compound useful in organic synthesis.

상·하류 제품 정보

공급사9 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
江门市世家商贸有限公司755-13923738421 13923738421 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

관련 반응

2건
반응 기록 만들기

화합물 노트

불러오는 중…