기본 정보
- CAS
77949-42-9- 표준 SMILES
C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2- InChIKey
VLCMAXYGZMNIMT-HFMLIDFKSA-N- 분자식
- C22H30O6
- 평균 분자량
- 390.5 g/mol
- 단동위원소 질량
- 390.20423867
개요
(1S,2S,3R,5S,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate has been reported in Isodon adenolomus, Isodon parvifolius, and Isodon with data available.
이름 및 식별자
- 우선 이름
- Longikaurin E
- IUPAC
- [(1S,2S,3R,5S,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate
- 영어명
- 11α-Acetoxy-7α,20-epoxy-6β,7-dihydroxykaur-16-en-15-one
- 분자식
- C22H30O6
- 분자량
- 390.47
이름 및 동의어
Longikaurin E77949-42-9((1S,2S,3R,5S,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-3-yl) acetate[(1S,2S,3R,5S,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetateRefChem:154022(-)-Longikaurin ECHEMBL1802177SCHEMBL30632308HY-N3371AKOS040744705Kaur-16-en-15-one, 11-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (6beta,7alpha,11alpha)-CS-0024023
이름 더 보기
11α-Acetoxy-7α,20-epoxy-6β,7-dihydroxykaur-16-en-15-oneKaur-16-en-15-one,11-(acetyloxy)-7,20- epoxy-6,7-dihydroxy-,(6a,7R,11R)-Kaur-16-en-15-one, 11-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (6β,7α,11α)-
T20805(6,7,11)-11-(Acetyloxy)-7,20-epoxy-6,7-dihydroxykaur-16-en-15-one; (-)-Longikaurin E
데이터베이스 식별자
- CAS
77949-42-9- PubChem CID
- 56673383
- ChEMBL
CHEMBL1802177
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 788
물리화학적 성질
- 끓는 점
- 540.1 · 540.1±50.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.09 · 11.09±0.70(Predicted)
화학 및 산업
공급사26 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [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]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [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]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
雷丁科技0510-85629785 18013409632 · [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]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海抚生实业有限公司021-52961053 13524666654 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…