기본 정보
- CAS
142279-41-2- 표준 SMILES
C/C=C(\C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]2(C)[C@@H]3CC4=C5[C@H](/C(=C(\C)C(=O)OC)C(=O)[C@H](O)[C@@]5(C)[C@@H]5C[C@H]45)[C@@]34OC(=O)C(CO)=C4C[C@@H]12- InChIKey
KDKIOCIPCJDWMT-ADSFGAOYSA-N- 분자식
- C36H42O10
- 평균 분자량
- 634.7 g/mol
- 단동위원소 질량
- 634.27779753
개요
shizukaol C has been reported in Chloranthus henryi, Chloranthus spicatus, and Chloranthus serratus with data available.
이름 및 식별자
- 우선 이름
- Shizukaol C
- IUPAC
- [(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9,21-dihydroxy-5-(hydroxymethyl)-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-9-yl]methyl (E)-2-methylbut-2-enoate
- 영어명
- Shizukaol C
- 분자식
- C36H42O10
- 분자량
- 634.72
이름 및 동의어
Shizukaol C142279-41-2[(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9,21-dihydroxy-5-(hydroxymethyl)-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-9-yl]methyl (E)-2-methylbut-2-enoateorb1681691CHEMBL3809357HY-N1301TN5012AKOS040762342DA-57840FS-10342CS-0016705[(Z)-dihydroxy-(hydroxymethyl)-(2-methoxy-1-methyl-2-oxo-ethylidene)-dimethyl-dioxo-[?]yl]methyl (E)-2-methylbut-2-enoate
이름 더 보기
2-Butenoic acid, 2-methyl-, [(1aR,1bS,2R,4aR,4bS,8aS,9R,9aS,10aR,10bS,10cS,11bS)-1,1a,1b,2,3,4,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-octadecahydro-2,9-dihydroxy-7-(hydroxymethyl)-4-(2-methoxy-1-methyl-2-oxoethylidene)-1b,10b-dimethyl-3,6-dioxocyclopropa[4,5]cyclopropa[4',5']cyclopent[1',2':7,8]acephe...
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,680
물리화학적 성질
- 끓는 점
- 838.4 · 838.4±65.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.25 · 12.25±0.70(Predicted)
화학 및 산업
공급사26 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [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]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
陕西萃程生物医药科技有限公司13186333400 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
南京尚书生物科技有限公司18266960953 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
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