(4S,5R,8S,13R,16S,19R,22S)-8-[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(2S,4S,5S,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
기본 정보
- 표준 SMILES
CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@@H]56)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1- InChIKey
UGPRSKLZICXSBQ-JDNWOVCHSA-N- 분자식
- C42H64O15
- 평균 분자량
- 808.9 g/mol
- 단동위원소 질량
- 808.42452135
개요
UGPRSKLZICXSBQ-JDNWOVCHSA-N has been reported in Vincetoxicum atratum with data available.
이름 및 식별자
- 우선 이름
- (4S,5R,8S,13R,16S,19R,22S)-8-[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(2S,4S,5S,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
- IUPAC
- (4S,5R,8S,13R,16S,19R,22S)-8-[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(2S,4S,5S,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 168 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,510
관련 반응
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