기본 정보
- CAS
15610-97-6- 표준 SMILES
COC(=O)C1=C2C3(O)CC4CC5C3CCC(C)N5C24C2CCCC(OC)C2C1OC(=O)c1ccccc1- InChIKey
YYRMLJPFAHKRJD-UHFFFAOYSA-N- 분자식
- C30H37NO6
- 평균 분자량
- 507.6 g/mol
- 단동위원소 질량
- 507.2620879
개요
Methyl 7-(benzoyloxy)-5-hydroxy-8-methoxy-15-methyl-2,3,3a,4,5,7,7a,8,9,10,11,11a-dodecahydro-2,5,1-(butane[1,1,4]triyl)benzo[6,7]indeno[7a,1-b]pyrrole-6-carboxylate has been reported in Galbulimima belgraveana and Galbulimima baccata with data available.
이름 및 식별자
- 우선 이름
- Himandrine
- IUPAC
- methyl 14-benzoyloxy-11-hydroxy-16-methoxy-3-methyl-2-azahexacyclo[10.8.0.01,9.02,7.06,11.015,20]icos-12-ene-13-carboxylate
- 현지명
- 메틸16α-(벤조일옥시)-20-히드록시-14α-메톡시힘보산-18-오에이트
- 영어명
- Methyl 16α-(benzoyloxy)-20-hydroxy-14α-methoxyhimbosan-18-oate
- 분자식
- C30H37NO6
- 분자량
- 507.62
이름 및 동의어
HIMANDRINE15610-97-6RefChem:146425Himandridine, 13-deoxy-NSC23971NSC 23971methyl 7-(benzoyloxy)-5-hydroxy-8-methoxy-15-methyl-2,3,3a,4,5,7,7a,8,9,10,11,11a-dodecahydro-2,5,1-(butane[1,1,4]triyl)benzo[6,7]indeno[7a,1-b]pyrrole-6-carboxylateSCHEMBL30507503DTXSID70935370NSC-23971methyl benzoyloxy-hydroxy-methoxy-methyl-[?]carboxylateHimbosan-18-oic acid, methyl ester, (14.alpha.,16.alpha.)-
이름 더 보기
메틸16α-(벤조일옥시)-20-히드록시-14α-메톡시힘보산-18-오에이트Methyl 16α-(benzoyloxy)-20-hydroxy-14α-methoxyhimbosan-18-oate5,6,9-[1]Butanyl[4]ylidene-5H-benz[6,7]indeno[7a,1-b]pyrrole-10-carboxylic acid, 11-(benzoyloxy)-1,2,3,4,4a,6,7,7a,8,9,11,11a-dodecahydro-9-hydroxy-1-methoxy-15-methyl-, methyl ester, (1S,4aR,4bR,5S,6R,7aS,9R,11S,11aS,12S,15S)-
Methyl 7-(benzoyloxy)-5-hydroxy-8-methoxy-15-methyl-2,3,3a,4,5,7,7a,8,9,10,11,11a-dodecahydro-2,5,1-butane[1,1,4]triylbenzo[6,7]indeno[7a,1-b]pyrrole-6-carboxylate
데이터베이스 식별자
- CAS
15610-97-6- PubChem CID
- 229901
- DTXSID
DTXSID70935370
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 85.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,020
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