기본 정보
- CAS
246868-97-3- 표준 SMILES
C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O- InChIKey
UTPZDJKEZVYWGA-BUFWPIMQSA-N- 분자식
- C30H50O5
- 평균 분자량
- 490.7 g/mol
- 단동위원소 질량
- 490.36582469
개요
3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid has been reported in Aglaia lawii and Aglaia forbesii with data available.
이름 및 식별자
- 우선 이름
- Aglinin A
- IUPAC
- 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
- 영어명
- Aglinin A
- 분자식
- C30H50O5
- 분자량
- 490.72
이름 및 동의어
Aglinin A246868-97-3orb1683211TN3362AKOS040761324CS-00234011H-Benz[e]indene-6-propanoic acid, dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-hydroxy-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-, (3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid20S,24-Epoxy-24,25-dihydroxy-3,4-secodammar-4(28)-en-3-oic acid(20S)-24,25-Dihydroxy-20,24-epoxy-3,4-secodammar-4(28)-en-3-oic acid
데이터베이스 식별자
- CAS
246868-97-3- PubChem CID
- 93001523
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 882
물리화학적 성질
- 끓는 점
- 595.617 · 595.617±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.092 · 1.092±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.743 · 4.743±0.10(predicted)
화학 및 산업
공급사23 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [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]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [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]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
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