methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12S,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
기본 정보
- CAS
55279-87-3- 표준 SMILES
COC(=O)/C=C\[C@@]12COC(C)(C)[C@@H]1C(=O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321- InChIKey
LDDPNRPNOHWFQH-RFWHMWEWSA-N- 분자식
- C27H30O9
- 평균 분자량
- 498.5 g/mol
개요
methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12S,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate has been reported in Atalantia buxifolia and Atalantia macrophylla with data available.
이름 및 식별자
- 우선 이름
- methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12S,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
- IUPAC
- methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12S,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
- 영어명
- 3-[(3α,4aR)-1α-(Furan-3-yl)tetradecahydro-3,5,6-trioxo-4bβ,7,7,11aα-tetramethylfuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9aα-yl]propenoic acid methyl ester
- 분자식
- C27H30O9
- 분자량
- 498.52
이름 및 동의어
Dehydroatalantin4-Deoxy-4,19-epoxy-6-oxoobacunoic acid methyl3-[(3α,4aR)-1α-(Furan-3-yl)tetradecahydro-3,5,6-trioxo-4bβ,7,7,11aα-tetramethylfuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9aα-yl]propenoic acid methyl ester2-Propenoic acid, 3-[(1S,3aS,4aR,4bR,6aR,9aS,9bR,11aS)-1-(3-furanyl)dodecahydro-4b,7,7,11a-tetramethyl-3,5,6-trioxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-9a(9H)-yl]-, methyl ester, (2Z)-
데이터베이스 식별자
- CAS
55279-87-3
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,090
물리화학적 성질
- 녹는점
- 204 °C · 204 °C(Solvent: Acetone)
- 끓는 점
- 646.105 · 646.105±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.375 · 1.375±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
관련 반응
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