[(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-4-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-3,4,6,8-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-15-yl] acetate
기본 정보
- CAS
109521-80-4- 표준 SMILES
CO[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](OC(CC[C@@H](C)[C@H]3C[C@H](OC(C)=O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)[C@H](O)[C@@H]5[C@H](O)C[C@]34O)C(C)C)O[C@H]2CO)OC[C@@H](O)[C@@H]1O- InChIKey
OTSSQSGFARMFRO-LGDBMXGYSA-N- 분자식
- C40H68O15
- 평균 분자량
- 789 g/mol
이름 및 식별자
- 우선 이름
- [(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-4-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-3,4,6,8-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-15-yl] acetate
- IUPAC
- [(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-17-[(2R)-5-[(2R,3R,4R,5S)-4-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-3,4,6,8-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-15-yl] acetate
- 영어명
- 24-[[3-O-(2-O-Methyl-β-D-xylopyranosyl)-α-L-arabinofuranosyl]oxy]-5α-cholestane-3β,4β,6β,8β,15α-pentaol 15-acetate
- 분자식
- C40H68O15
- 분자량
- 788.95892
이름 및 동의어
Echinasteroside B1(-)-Echinasteroside B124-[[3-O-(2-O-Methyl-β-D-xylopyranosyl)-α-L-arabinofuranosyl]oxy]-5α-cholestane-3β,4β,6β,8β,15α-pentaol 15-acetate
데이터베이스 식별자
- CAS
109521-80-4- Nikkaji
- J332.248C
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 234 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,320
화학 및 산업
공급사1 곳
济南思考化学有限公司0531-0000 · [email protected]
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