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기본 정보
- CAS
21490-21-1- 표준 SMILES
C=C(CO)[C@H](CC)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ODENAQIZHMFEAO-BQBPTSSQSA-N- 분자식
- C29H46O7
- 평균 분자량
- 506.67 g/mol
이름 및 식별자
- 우선 이름
- (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
- 영어명
- (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
- 분자식
- C29H46O7
- 분자량
- 506.67
이름 및 동의어
Ajugasteron BAjugasterone B(20ξ,24ξ)-2β,3β,14,20,22,27-Hexahydroxy-5β-stigmasta-7,25-dien-6-oneStigmasta-7,25-dien-6-one, 2,3,14,20,22,27-hexahydroxy-, (2β,3β,5β,22R)-(2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
데이터베이스 식별자
- CAS
21490-21-1- PubChem CID
- 15813982
- ChEMBL
CHEMBL2087155- Nikkaji
- J1.132.341C
물성
물리화학적 성질
- 끓는 점
- 725.7 · 725.7±60.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.12 · 14.12±0.70(Predicted)
화학 및 산업
공급사4 곳
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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