I(2)-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(I(2)-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate]
기본 정보
- CAS
90851-26-6- 표준 SMILES
C=C1CCC2C(C)(C(=O)OC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O- InChIKey
DQBCTTXPKJBNHF-UHFFFAOYSA-N- 분자식
- C32H52O13
- 평균 분자량
- 644.7 g/mol
- 단동위원소 질량
- 644.34079171
개요
beta-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(beta-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate] has been reported in Rubus foliosus with data available.
이름 및 식별자
- 우선 이름
- I(2)-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(I(2)-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate]
- IUPAC
- [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,4a-dimethyl-6-methylidene-5-[3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
이름 및 동의어
DTXSID80109992190851-26-6I(2)-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(I(2)-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate]
데이터베이스 식별자
- CAS
90851-26-6- PubChem CID
- 75630070
- DTXSID
DTXSID801099921
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 216 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,070
관련 반응
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