기본 정보
- CAS
156980-30-2- 표준 SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
QISCHUABGXFSHX-VGYFPVPDSA-N- 분자식
- C46H74O16
- 평균 분자량
- 883.1 g/mol
- 단동위원소 질량
- 882.49768627
개요
Elatoside E is a triterpenoid.
이름 및 식별자
- 우선 이름
- (3beta)-3-((O-beta-D-Glucopyranosyl-(1->3)-O-(beta-D-xylopyranosyl-(1->2))-alpha-L-arabinopyranosyl)oxy)olean-12-en-28-oic acid
- IUPAC
- (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- 현지명
- 엘라토사이드E
- 영어명
- elatoside E
- 분자식
- C46H74O16
- 분자량
- 883.08
이름 및 동의어
Elatoside E156980-30-2DTXSID301107537(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-((2S,3R,4S,5S)-5-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidRefChem:905984DTXCID401539185(3beta)-3-((O-beta-D-Glucopyranosyl-(1->3)-O-(beta-D-xylopyranosyl-(1->2))-alpha-L-arabinopyranosyl)oxy)olean-12-en-28-oic acidTarasaponin III(3beta)-3-[(O-beta-D-Glucopyranosyl-(1-->3)-O-[beta-D-xylopyranosyl-(1-->2)]-alpha-L-arabinopyranosyl)oxy]olean-12-en-28-oic acidorb1680746SCHEMBL29934501
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 255 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,690
물리화학적 성질
- 끓는 점
- 961.5 · 961.5±65.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4 · 4+-.0.70(Predicted)
화학 및 산업
공급사9 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
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