노토긴세노사이드T5
(2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
기본 정보
- CAS
769932-34-5- 표준 SMILES
C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)C[C@]12C- InChIKey
AZCCJXYHOHKAIO-FOAPWNTHSA-N- 분자식
- C41H68O12
- 평균 분자량
- 753 g/mol
- 단동위원소 질량
- 752.4710776
개요
AZCCJXYHOHKAIO-FOAPWNTHSA-N has been reported in Panax notoginseng with data available.
이름 및 식별자
- 우선 이름
- (2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
- IUPAC
- (2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
- 현지명
- 노토긴세노사이드T5
- 영어명
- Notoginsenoside T5
- 분자식
- C41H68O12
- 분자량
- 752.97
이름 및 동의어
HY-N6581TN1998AKOS040760598CS-0034277노토긴세노사이드T5Notoginsenoside T5β-D-Glucopyranoside, (3β,6α,12β)-3,12-dihydroxydammara-20,24-dien-6-yl 3-O-β-D-xylopyranosyl-(3beta,6alpha,12beta)-3,12-Dihydroxydammara-20,24-dien-6-yl 3-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
데이터베이스 식별자
- CAS
769932-34-5- PubChem CID
- 102072430
- Nikkaji
- J2.073.528G
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,350
물리화학적 성질
- 녹는점
- 161 · 161-163 °C
- 끓는 점
- 857.209 · 857.209±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.289 · 1.289±0.10 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)
- 12.695 · 12.695±0.70(predicted)
- 색상
- White to off-white
화학 및 산업
공급사28 곳
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
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