기본 정보
- CAS
136040-43-2- 표준 SMILES
C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)CC[C@@]24C)C[C@]13CCC(=O)O- InChIKey
RRSQKAFYPICCAZ-PTWMZBRVSA-N- 분자식
- C30H44O4
- 평균 분자량
- 468.7 g/mol
- 단동위원소 질량
- 468.32395988
개요
CID 14844611 has been reported in Kadsura heteroclita with data available.
이름 및 식별자
- 우선 이름
- 3-((1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-((1S)-1-((2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl)-12-prop-1-en-2-yl-13-tetracyclo(7.5.0.01,13.04,8)tetradecanyl)propanoic acid
- IUPAC
- 3-[(1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
- 영어명
- (3S,3aR,4aS,6aR,7R,9aS,9bS)-7-[(1S)-1-[(2R)-3,6-Dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid
- 분자식
- C30H44O4
- 분자량
- 468.67
이름 및 동의어
3-[(1S,4R,5R,8S,9S,12S,13R)-4,8-Dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid3-((1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-((1S)-1-((2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl)-12-prop-1-en-2-yl-13-tetracyclo(7.5.0.01,13.04,8)tetradecanyl)propanoic acidRefChem:1066268Schisanlactone E136040-43-2Kadsulactone acid(3S,3AR,4aS,6aR,7R,9aS,9bS)-7-[(1S)-1-[(2R)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acidorb1684236HY-N9505TN2184AKOS040760694FS-7027
이름 더 보기
Schizanlactone E1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoicacid,7-[(1S)-1-[(2R)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-,(3S,3aR,4aS,6aR,7R,9aS,9bS)-
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 949
물리화학적 성질
- 녹는점
- 120 · 120-122℃
- 끓는 점
- 605.259 · 605.259±38.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.12 · 1.12
- 산도 계수 (pKa)
- 4.784 · 4.784±0.10(predicted)
화학 및 산업
공급사27 곳
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
泰安市江舟生物科技有限公司1385-13854830383 13854830383 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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