Dammar-23-en-16-one, 3-[(O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranosyl)oxy]-30-(I(2)-D-glucopyranosyloxy)-20,25-dihydroxy-, (3I(2),23E)-
기본 정보
- CAS
154971-14-9- 표준 SMILES
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C(C(C)(O)CC=CC(C)(C)O)C(=O)CC45COC4OC(CO)C(O)C(O)C4O)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
DOJZKJOODIEYJZ-UHFFFAOYSA-N- 분자식
- C53H88O23
- 평균 분자량
- 1,093.2 g/mol
- 단동위원소 질량
- 1,092.57163905
이름 및 식별자
- 우선 이름
- Dammar-23-en-16-one, 3-[(O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranosyl)oxy]-30-(I(2)-D-glucopyranosyloxy)-20,25-dihydroxy-, (3I(2),23E)-
- IUPAC
- 17-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-3-[5-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,4,8,10-tetramethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
이름 및 동의어
DTXSID801099214154971-14-9Dammar-23-en-16-one, 3-[(O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranosyl)oxy]-30-(I(2)-D-glucopyranosyloxy)-20,25-dihydroxy-, (3I(2),23E)-
데이터베이스 식별자
- CAS
154971-14-9- PubChem CID
- 163017571
- DTXSID
DTXSID801099214
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 374 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 2,030
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…