기본 정보
- CAS
3671-38-3- 표준 SMILES
C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
MBWUSSKCCUMJHO-SXCAMOPPSA-N- 분자식
- C45H73NO15
- 평균 분자량
- 868.1 g/mol
- 단동위원소 질량
- 867.49802062
개요
Beta-Solamarine is a steroid saponin.
이름 및 식별자
- 우선 이름
- (3beta,22beta,25S)-Spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->4))-beta-D-glucopyranoside
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- 현지명
- 베타-솔라마린
- 영어명
- beta-solamarine
- 분자식
- C45H73NO15
- 분자량
- 868.07
이름 및 동의어
beta-Solamarine3671-38-3(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-Hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triolDTXSID601104299(2S,3R,4R,5R,6S)-2-((2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-((1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-piperidine)-16-yl)oxy-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triolRefChem:905997DTXCID501535974(3beta,22beta,25S)-Spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->4))-beta-D-glucopyranosideSOLAMARIN, BETAbeta-SolamarinNSC-94735|A- Solamarine
이름 더 보기
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 238 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,610
물리화학적 성질
- 녹는점
- 275 · 275-277 °C (decomp)(Solv: methanol (67-56-1); acetone (67-64-1))
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12 · 12+-.0.70(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사16 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [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+86-029-81138252 +86-173 9270 1263 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
浙江联硕生物科技有限公司18616526224 · [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]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
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