[20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate
기본 정보
- CAS
256937-98-1- 표준 SMILES
CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1CCC(C)C(=O)OC(C(OC(=O)c1ccoc1)C2OC(C)=O)C4(C)O- InChIKey
MULDBYDFNDGEHV-UHFFFAOYSA-N- 분자식
- C41H47NO19
- 평균 분자량
- 857.8 g/mol
이름 및 식별자
- 우선 이름
- [20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate
- IUPAC
- [20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate
- 영어명
- 3-Furancarboxylic acid, (7S,10S,11S,12S,13R,14S,15R,16R,17R,22R,23R,24R)-14,15,22,23-tetrakis(acetyloxy)-13-[(acetyloxy)methyl]-5,7,8,10,11,13,14,15,16,17,18,20-dodecahydro-11-hydroxy-7,11,17-trimethyl-8,20-dioxo-12,17-epoxy-10,13-ethano-12,16-methano-6H,12H-[1,9]dioxacyclooctadecino[3,4-c]pyridin-24-yl ester
- 분자식
- C41H47NO19
- 분자량
- 857.82
이름 및 동의어
Wilfordinine D3-Furancarboxylic acid, (7S,10S,11S,12S,13R,14S,15R,16R,17R,22R,23R,24R)-14,15,22,23-tetrakis(acetyloxy)-13-[(acetyloxy)methyl]-5,7,8,10,11,13,14,15,16,17,18,20-dodecahydro-11-hydroxy-7,11,17-trimethyl-8,20-dioxo-12,17-epoxy-10,13-ethano-12,16-methano-6H,12H-[1,9]dioxacyclooctadecino[3,4-c]pyridin-2...3-Furancarboxylic acid, (7S,10S,11S,12S,13R,14S,15R,16R,17R,22R,23R,24R)-14,15,22,23-tetrakis(acetyloxy)-13-[(acetyloxy)methyl]-5,7,8,10,11,13,14,15,16,17,18,20-dodecahydro-11-hydroxy-7,11,17-trimethyl-8,20-dioxo-12,17-epoxy-10,13-ethano-12,16-methano-6H,12H-[1,9]dioxacyclooctadecino[3,4-c]pyridin-24-yl ester3-Furancarboxylic acid, (7S,10S,11S,12S,13R,14S,15R,16R,17R,22R,23R,24R)-14,15,22,23-tetrakis(acetyloxy)-13-[(acetyloxy)methyl]-5,7,8,10,11,13,14,15,16,17,18,20-dodecahydro-11-hydroxy-7,11,17-trimethyl-8,20-dioxo-12,17-epoxy-10,13-ethano-12,16-methano-6H,12H-[1,9]dioxacyclooctadecino[3,4-c]pyridin-2... USP/EP/BP
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 266 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,790
물리화학적 성질
- 끓는 점
- 858.6 · 858.6±65.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.59 · 11.59±0.70(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…