상귀나린(RG)

Salvinorin B

HCID 11440685

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 92545-30-7
표준 SMILES: COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey: BLTMVAIOAAGYAR-CEFSSPBYSA-N
분자식: C21H26O7
평균 분자량: 390.4 g/mol
단동위원소 질량: 390.16785317

개요

Salvinorin B is a diterpene lactone.

이름 및 식별자

우선 이름: Salvinorin B
IUPAC: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
현지명: 상귀나린(RG)
영어명: SANGUINARINE (RG)
분자식: C21H26O7
분자량: 390.43

이름 및 동의어

Salvinorin B92545-30-76HNB6FRT7Xmethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylateDTXSID50465988methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo(f)isochromene-7-carboxylateRefChem:181048DTXCID80416807Divinorin B(-)-Salvinorin BCHEMBL4246982H-Naphtho(2,1-C)pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-

이름 더 보기

상귀나린(RG)SANGUINARINE (RG)Salvinorin B solutionSalvinorin B 100 μg/mL in AcetonitrileSalvinorin B, kappa-opioid DREADD (KORD) agonist2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-[2S-(2α,4aα,6aβ,7β,9β,10aα,10bβ)]-2-(3-Furanyl)dodecahydro-9-hydroxy-6a,10b-diMethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic Acid Methyl Ester

Methyl (2R,4aR,6aR,7S,9R,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-oxidanyl-4,10-bis(oxidanylidene)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo(f)isochromene-7-carboxylateSalvinorin B (SALB)UNII-6HNB6FRT7X(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic Acid Methyl Esterorb3141545SCHEMBL3144611BLTMVAIOAAGYAR-CEFSSPBYSA-NCHEBI:177592

데이터베이스 식별자

CAS: 92545-30-7
PubChem CID: 11440685
DTXSID: DTXSID50465988
ChEMBL: CHEMBL424698
ChEBI: CHEBI:177592
UNII: 6HNB6FRT7X
Nikkaji: J2.155.921K

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 103 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 28
형식 전하: 0
복잡도: 690

물리화학적 성질

녹는점: 213 · 213~216℃
끓는 점: 562.8 · 562.8±50.0 °C(Predicted)
밀도: 1.277 · 1.277±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 1 mg/ml; · Acetonitrile: 1 mg/ml; DMF: 1 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml
물리적 상태: A neat solid
산도 계수 (pKa): 12.73 · 12.73±0.70(Predicted)
색상: 회백색
BRN: 4335292 · 4335292
InChIKey: BLTMVAIOAAGYAR-CEFSSPBYSA-N
SMILES: COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]3C(=O)O[C@@H](C[C@]23C)c4ccoc4

안전 및 규제

안전 데이터

wgk: 3
risk_code: 11-20/21/22-36
hazard_code: F,Xn
safety_code: 16-26-36/37
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Salvinorin B is a metabolite of Salvinorin A (S100900), a hallucinogen.

상·하류 제품 정보

하류 제품

SALVINORIN A

공급사14 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

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