CAS 2096516-32-2 (3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one (HCID 178915399)

기본 정보

CAS: 2096516-32-2
표준 SMILES: C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey: YWAKRLANXLYUMX-DKSDYRPHSA-N
분자식: C54H90O24
평균 분자량: 1,123.3 g/mol

이름 및 식별자

우선 이름: (3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
IUPAC: (3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
영어명: 11-Oxomogroside IV
분자식: C54H90O24
분자량: 1123.28

이름 및 동의어

11-Oxomogroside IV2096516-32-2orb1684909HY-N8147TN1185AKOS040760183CS-014020519-Norlanost-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-24-[(2-O-β-L-glucopyranosyl-β-D-glucopyranosyl)oxy]-25-hydroxy-9-methyl-, (3β,9β,10α,24R)-

데이터베이스 식별자

CAS: 2096516-32-2

물성

구조 계산 물성

XLogP: -1.9
극성 표면적: 394 Å²
수소 결합 공여자 수: 15
수소 결합 수용자 수: 24
회전 가능 결합 수: 17
무거운 원자 수: 78
형식 전하: 0
복잡도: 2,080

물리화학적 성질

끓는 점: 1180.3 · 1180.3±65.0 °C(Predicted)
밀도: 1.46 · 1.46±0.1 g/cm3(Predicted)
산도 계수 (pKa): 12.85 · 12.85±0.70(Predicted)

화학 및 산업

공급사20 곳

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]

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