기본 정보
- CAS
290308-51-9- 표준 SMILES
CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
FFYPJOJFUJFYAT-AWZIMYOFSA-N- 분자식
- C24H38O11
- 평균 분자량
- 502.6 g/mol
- 단동위원소 질량
- 502.24141202
개요
(4R)-3,5,5-Trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one is an O-acyl carbohydrate.
이름 및 식별자
- 우선 이름
- Eriojaposide A
- IUPAC
- (4R)-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
이름 및 동의어
Eriojaposide ADTXSID701317219290308-51-9RefChem:137640(6R,9R)-3-oxo-alpha-ionyl-9-O-beta-xylopyranosyl-(1''-6')-beta-glucopyranosideDTXCID9017470403,5,5-trimethyl-4-((1E)-3-((3,4,5-trihydroxy-6-(((3,4,5-trihydroxyoxan-2-yl)oxy)methyl)oxan-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one3,5,5-trimethyl-4-((E)-3-(3,4,5-trihydroxy-6-((3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxan-2-yl)oxybut-1-enyl)cyclohex-2-en-1-one(4R)-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-oneCHEBI:182937C17888(2R,3E)-4-[(1R)-2,6,6-Trimethyl-4-oxocyclohex-2-en-1-yl]but-3-en-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
데이터베이스 식별자
- CAS
290308-51-9- PubChem CID
- 9892275
- DTXSID
DTXSID701317219- ChEBI
CHEBI:182937- Nikkaji
- J1.559.389J
물성
구조 계산 물성
- XLogP
- -2
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 796
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…