기본 정보
- CAS
40837-89-6- 표준 SMILES
CO[C@H]1[C@@](O)([Si](C)(C)C)[C@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](c5coc(O[Si](C)(C)C)c5)CC[C@]43O)C2)O[C@@H](C)[C@@]1(O)[Si](C)(C)C- InChIKey
ZOXXNDUQAHSGFQ-YTRPPYKNSA-N- 분자식
- C39H68O9Si3
- 평균 분자량
- 765.2 g/mol
이름 및 식별자
- 우선 이름
- (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyl-3,5-bis(trimethylsilyl)oxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-trimethylsilyloxyfuran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
- IUPAC
- (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyl-3,5-bis(trimethylsilyl)oxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-trimethylsilyloxyfuran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
- 영어명
- 3β-[[6-Deoxy-3-O-methyl-2,4-bis(trimethylsilyl)-α-L-glucopyranosyl]oxy]-21,23-epoxy-14β-hydroxy-23-[(trimethylsilyl)oxy]-24-nor-5β-chola-20,22-dien-19-al
- 분자식
- C39H68O9Si3
- 분자량
- 765.20832
이름 및 동의어
3β-[[6-Deoxy-3-O-methyl-2,4-bis(trimethylsilyl)-α-L-glucopyranosyl]oxy]-21,23-epoxy-14β-hydroxy-23-[(trimethylsilyl)oxy]-24-nor-5β-chola-20,22-dien-19-al
데이터베이스 식별자
- CAS
40837-89-6- Nikkaji
- J414.145H
물성
구조 계산 물성
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,300
관련 반응
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