Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 162113생성일: 2026년 11월 1일
Cannabielsoin
cannabielsoin · Cannabielsoin I · Cannabielsoin A · Cannabielsoin (CRM) · Cannabielsoin (CBE) solution · (5aS,6S,9R)-5aβ,6,7,8,9,9aβ-Hexahydro-6α-methyl-9β-(1-methylethenyl)-3-pentyl-1,6-dibenzofurandiol · 1,6-Dibenzofurandiol, 5a,6,7,8,9,9a-hexahydro-6-methyl-9-(1-methylethenyl)-3-pentyl-, (5aS,6S,9R,9aR)-
https://huagongshe.com/ko/chemical/162113
식별자 및 물리적 특성
| CAS No. | 52025-76-0 |
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| 분자식 | C21H30O3 |
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| 평균 분자량 | 330.468 g/mol |
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| 단동위원소 질량 | 330.21949482 g/mol |
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| SMILES | C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2Oc3cc(CCCCC)cc(O)c3[C@@H]12 |
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| InChIKey | RBEAVAMWZAJWOI-MTOHEIAKSA-N |
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| PubChem CID | 162113 |
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| DTXSID | DTXSID50966364 |
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화학 및 물리적 성질
| 끓는 점 | 426.5±45.0 °C(Predicted) |
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| 밀도 | 1.089±0.06 g/cm3(Predicted) |
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| 저장 조건 | -10 to -25°C |
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| 용해도 | DMF: 50 mg/mlDMSO: 60 mg/mlDMSO:PBS (pH 7.2) (1:3): 0.25 mgEthanol: 35 mg/ml |
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| pKa(산도 계수) | 9.78±0.60(Predicted) |
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| InChI | 1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1 |
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| InChIKey | RBEAVAMWZAJWOI-MTOHEIAKSA-N |
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| SMILES | O1[C@H]2[C@H]([C@@H](CC[C@@]2(O)C)C(=C)C)c3c1cc(cc3O)CCCCC |
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안전 및 규제
| 수질 위해 등급(WGK) | WGK 2 |
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| 위험 등급 | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
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| 저장 분류 | 3 - Flammable liquids |
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