(3S,5S,10S,13R,14S,17S)-3-[(3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
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기본 정보
- CAS
28518-57-2- 표준 SMILES
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)C(O[C@H]3CC[C@]4(C=O)C5CC[C@]6(C)[C@H](c7ccc(=O)oc7)CC[C@]6(O)C5CC[C@]4(O)C3)O[C@H]2CO)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
FTYPVGIUGXFIID-DCNFWZRVSA-N- 분자식
- C36H52O15
- 평균 분자량
- 724.8 g/mol
- 단동위원소 질량
- 724.33062095
이름 및 식별자
- 우선 이름
- (3S,5S,10S,13R,14S,17S)-3-[(3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- IUPAC
- (3S,5S,10S,13R,14S,17S)-3-[(3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- 영어명
- (3S,5S,10S,13R,14S,17S)-3-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- 분자식
- C36H52O15
- 분자량
- 0
이름 및 동의어
(3S,5S,10S,13R,14S,17S)-3-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
데이터베이스 식별자
- CAS
28518-57-2- PubChem CID
- 90470794
물성
구조 계산 물성보충 중
- XLogP
- -2.3
- 극성 표면적
- 242 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,410
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