기본 정보
- CAS
72040-27-8- 표준 SMILES
C=C1[C@@]23C(=O)O[C@H](C)[C@@]2(O)C(=O)O[C@]1(C)[C@@H](O)C1=C(C)[C@]2(C=CC(=O)OC2(C)C)CC[C@@]13C- InChIKey
DNKFADXVMUNRRM-XOPCMRBUSA-N- 분자식
- C25H30O8
- 평균 분자량
- 458.5 g/mol
- 단동위원소 질량
- 458.19406791
개요
Unii-6Z34580guz has been reported in Aspergillus stellatus, Aspergillus ustus, and Aspergillus nidulans with data available.
이름 및 식별자
- 우선 이름
- Unii-6Z34580guz
- IUPAC
- (1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione
이름 및 동의어
UNII-6Z34580GUZ72040-27-8(1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trioneSpiro(1H-6,11b-methano-4H-furo(3,4-e)(3)benzoxocin-9(10H),3'(6'H)-(2H)pyran)-1,4,6'-trione, 3,3a,6,7,11,11a-hexahydro-3a,7-dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylene-, (3S,3'S,3aS,6R,7R,11aS,11bS)-DESACETYLAUSTINorb3141930AUSTIN, O17-DEACETYL-DTXSID30992727TN11530(3R,3'R,3aR,6S,7S,11aS,11bR)-3a,7-Dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylidene-3,3a,6,7,11,11a-hexahydro-1H,2'H,4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocine-9,3'-pyran]-1,4,6'-trione3a,7-Dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylidene-3,3a,6,7,11,11a-hexahydro-1H,2'H,4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocine-9,3'-pyran]-1,4,6'-trioneSPIRO(1H-6,11B-METHANO-4H-FURO(3,4-E)(3)BENZOXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 3,3A,6,7,11,11A-HEXAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3S-(3.ALPHA.,3A.ALPHA.,6.BETA.,7.BETA.,9.BETA.,11A.BETA.,11B.BETA.))-
이름 더 보기
SPIRO(3AH-6,11B-METHANO-3H-BENZO(E)FURO(3,4-C)OXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 6,7,11,11A-TETRAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3R,3'R,3AR,6S,7S,11AS,11BR)-
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 1,120
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