(2R,3S,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one

HCID 102209284

기본 정보

표준 SMILES
CC[C@@H](O)[C@@](C)(O)[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@@H]1C
InChIKey
XOBMIYSKMVYGLU-DWHVFYFZSA-N
분자식
C36H63NO12
평균 분자량
701.9 g/mol
단동위원소 질량
701.43502644

이름 및 식별자

우선 이름
(2R,3S,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one
IUPAC
(2R,3S,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one

이름 및 동의어

EM703SCHEMBL29400077XOBMIYSKMVYGLU-DWHVFYFZSA-N

데이터베이스 식별자

PubChem CID
102209284

물성

구조 계산 물성

XLogP
1.9
극성 표면적
175 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
13
회전 가능 결합 수
9
무거운 원자 수
49

관련 반응

2건

화합물 노트

불러오는 중…