(4S,6R)-6-[(1R,7aR)-octahydro-4-bromomethylene-7a-methyl-1H-inden-1-yl]-2-methoxycarbonyl-4-hydroxy-1-heptene (HCID 57127874)

기본 정보

표준 SMILES: C=C(C[C@@H](O)C[C@@H](C)[C@H]1CCC2C(=CBr)CCC[C@@]21C)C(=O)OC
InChIKey: PFFJBBUCNSLKSF-XOMXBZPLSA-N
분자식: C20H31BrO3
평균 분자량: 399.4 g/mol

이름 및 식별자

우선 이름: (4S,6R)-6-[(1R,7aR)-octahydro-4-bromomethylene-7a-methyl-1H-inden-1-yl]-2-methoxycarbonyl-4-hydroxy-1-heptene
IUPAC: methyl (4S,6R)-6-[(1R,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-hydroxy-2-methylideneheptanoate

이름 및 동의어

SCHEMBL7775894PFFJBBUCNSLKSF-XOMXBZPLSA-N(4S,6R)-6-[(1R,7aR)-octahydro-4-bromomethylene-7a-methyl-1H-inden-1-yl ]-2-methoxycarbonyl-4-hydroxy-1-heptene(4S,6R)-6-[(1R,7aR)-octahydro-4-bromomethylene-7a-methyl-1H-inden-1-yl]-2-methoxycarbonyl-4-hydroxy-1-heptene

데이터베이스 식별자

PubChem CID: 57127874

물성

구조 계산 물성

XLogP: 5.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 24
형식 전하: 0
복잡도: 513

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