Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16-hydroxy-, beta-D-glucopyranosyl ester, (3beta,16alpha)-
기본 정보
- CAS
289649-54-3- 표준 SMILES
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
DYJBTUINEBYYQT-WLKJUBLPSA-N- 분자식
- C47H76O18
- 평균 분자량
- 929.1 g/mol
- 단동위원소 질량
- 928.50316557
개요
Aralia-saponin I has been reported in Aralia elata with data available.
이름 및 식별자
- 우선 이름
- Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16-hydroxy-, beta-D-glucopyranosyl ester, (3beta,16alpha)-
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 영어명
- Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)- (9CI)
- 분자식
- C47H76O18
- 분자량
- 929.1
이름 및 동의어
289649-54-3Olean-12-en-28-oic acid, 3-((3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, beta-D-glucopyranosyl ester, (3beta,16alpha)-Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16-hydroxy-, beta-D-glucopyranosyl ester, (3beta,16alpha)-RefChem:366965Aralia-saponin Iorb2813752DTXSID301103397HY-N15146TN8457Olean-12-en-28-oic acid, 3-[(3-O-|A-D-glucopyranosyl-|A-L-arabinopyranosyl)oxy]-16-hydroxy-, |A-D-glucopyranosyl ester, (3|A,16|A)-Olean-12-en-28-oic acid, 3-[(3-O-I(2)-D-glucopyranosyl-I+/--L-arabinopyranosyl)oxy]-16-hydroxy-, I(2)-D-glucopyranosyl ester, (3I(2),16I+/-)-Araliasaponin I
이름 더 보기
Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)- (9CI)
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 295 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,780
물리화학적 성질
- 끓는 점
- 997.6 · 997.6±65.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.52 · 12.52±0.70(Predicted)
관련 반응
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