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기본 정보
- CAS
595-21-1- 표준 SMILES
COC1C(O)[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)C(O)C[C@]5(O)C4CC[C@@H]3C2)OC(C)[C@@H]1O- InChIKey
CPFNIKYEDJFRAT-RHZHZRSRSA-N- 분자식
- C30H46O9
- 평균 분자량
- 550.689 g/mol
- 단동위원소 질량
- 550.31418305
이름 및 식별자
- 우선 이름
- 3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
- IUPAC
- (8xi,9xi,17R)-3beta-[(6-Deoxy-3-O-methyl-alpha-L-glycero-hexopyranosyl)oxy]-14,16alpha-dihydroxy-5beta-card-20(22)-enolide
- 영어명
- (3beta,5beta,16beta)-3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
- 분자식
- C30H46O9
- 분자량
- 550.68
이름 및 동의어
StropesidDigicosideStrospesideGitoxigenin 3-O-monodigitaloside3β-[(6-Deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16β-dihydroxy-5β-card-20(22)-enolideCard-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxy-, (3β,5β,16β)-(3beta,5beta,16beta)-3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
데이터베이스 식별자
- CAS
물성
물리화학적 성질
- 녹는점
- 244.5 °C · 244.5°C
- 끓는 점
- 542.03 °C · 542.03°C (rough estimate)
- 밀도
- 1.1165 · 1.1165 (rough estimate)
- 굴절률
- 1.55 · 1.5500 (estimate)
- 산도 계수 (pKa)
- 12.92 · 12.92±0.70(Predicted)
화학 및 산업
공급사4 곳
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
추가 설명
정의ChEBI: A cardenolide glycoside in which the parent structure gitoxigenin is glycosylated at the 3beta-hydroxy group by beta-D-digitalose.
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