기본 정보
- CAS
299431-00-8- 표준 SMILES
COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC- InChIKey
HLBPOYVRLSXWJJ-UHFFFAOYSA-N- 분자식
- C22H22O8
- 평균 분자량
- 414.4 g/mol
- 단동위원소 질량
- 414.13146766
개요
β-peltatin has been reported in Podophyllum peltatum with data available.
이름 및 식별자
- 우선 이름
- 10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
- IUPAC
- 4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
이름 및 동의어
299431-00-8MLS002702982NSC659372SCHEMBL516628CHEMBL1435754DTXSID00871732HLBPOYVRLSXWJJ-UHFFFAOYSA-NAKOS024322664NCGC00095966-01NCGC00095966-0210-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-oneSMR001566792
이름 더 보기
10-HO-5-(3,4,5-TRI-MEO-PH)-4H-5AH-FURO(3',4':6,7)NAPHTHO(2,3-D)(1,3)DIOXOL-6-ONE10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one #4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one5,8,8a,9-Tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3a(2),4a(2):6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-oneNaphtho(2,3-d)-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactoneNCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
데이터베이스 식별자
- CAS
299431-00-8- PubChem CID
- 2363
- DTXSID
DTXSID00871732- ChEMBL
CHEMBL1435754
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 92.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 629
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