Bisvertinoquinol
기본 정보
- CAS
79950-83-7- 표준 SMILES
C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1[C@@]2(C(=O)CC/C=C/C)C(=O)C(C)=C(O)[C@@]1(C)O- InChIKey
ZXWVVZIMJSPORF-FTTFQXIBSA-N- 분자식
- C28H34O8
- 평균 분자량
- 498.6 g/mol
- 단동위원소 질량
- 498.22536804
개요
Bisvertinoquinol is a member of cyclohexenones.
이름 및 식별자
- 우선 이름
- Bisvertinoquinol
- IUPAC
- (1R,2R,6S,7S,8S,9S,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione
이름 및 동의어
bisvertinoquinolBisvertinoquinol, (+)-0S5Q28668HUNII-0S5Q28668H1,4-Ethanonaphthalene-2,8,10-trione, 1,3,4,4a,5,8a-hexahydro-3,5,6-trihydroxy-9-((2E,4E)-1-hydroxy-2,4-hexadienylidene)-1,3,5,7-tetramethyl-8a-((4E)-1-oxo-4-hexenyl)-, (1R,3S,4S,4aS,5S,8aR,9Z)-rel-(+)-79950-83-7(1R,2R,6S,7S,8S,9S,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione1,4-ETHANONAPHTHALENE-2,8,10-TRIONE, 1,3,4,4A,5,8A-HEXAHYDRO-3,5,6-TRIHYDROXY-9-(1-HYDROXY-2,4-HEXADIENYLIDENE)-1,3,5,7-TETRAMETHYL-8A-(1-OXO-4-HEXENYL)-, (1.ALPHA.,3.BETA.,4.ALPHA.,4A.BETA.,5.ALPHA.,8A.BETA.(E),9Z(2E,4E))-(+)-1,4-Ethanonaphthalene-2,8,10-trione, 1,3,4,4a,5,8a-hexahydro-3,5,6-trihydroxy-9-(1-hydroxy-2,4-hexadienylidene)-1,3,5,7-tetramethyl-8a-(1-oxo-4-hexenyl)-, (1alpha,3beta,4alpha,4abeta,5alpha,8abeta(E),9Z(2E,4E))-(+)-(1R,2R,6S,7S,8S,9S,12Z)-2-((E)-hex-4-enoyl)-5,6,9-trihydroxy-12-((2E,4E)-1-hydroxyhexa-2,4-dienylidene)-1,4,6,9-tetramethyltricyclo(6.2.2.02,7)dodec-4-ene-3,10,11-trioneRefChem:120549CHEBI:221007
이름 더 보기
Q27237174
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,200
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