Methyl Eichlerianate
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기본 정보
- CAS
56421-12-6- 표준 SMILES
C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC- InChIKey
TWFMQZXDUHCZFN-GVEJJQTFSA-N- 분자식
- C31H52O4
- 평균 분자량
- 488.7 g/mol
- 단동위원소 질량
- 488.38656014
개요
methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoate has been reported in Dysoxylum gotadhora and Dysoxylum binectariferum with data available.
이름 및 식별자
- 우선 이름
- Methyl Eichlerianate
- IUPAC
- methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
- 영어명
- Methyl eichlerianate
- 분자식
- C31H52O4
- 분자량
- 488.74
이름 및 동의어
Methyl eichlerianatemethyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoateMethyl SHoric acidmethyl 3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta(a)naphthalen-6-yl)propanoateRefChem:15785356421-12-6Methyl shorateorb1682119CHEMBL31094563,4-Secodammar-4(28)-en-3-oic acid, 20,24-epoxy-25-hydroxy-, methyl ester, (24S)-; Eichlerianic acid methyl esterTN4543AKOS032962445
이름 더 보기
Eichlerianic acid methyl ester1H-Benz[e]indene-6-propanoic acid, dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-, methyl ester, (3S,3aR,5aR,6S,7S,9aR,9bR)-
FS-10019CS-0023761
물성
구조 계산 물성보충 중
- XLogP
- 7.6
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 849
관련 반응
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