기본 정보
- CAS
127-32-2- 표준 SMILES
COC1C[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)OC(C)[C@H]1O- InChIKey
XRWQBDJPMXRDOQ-KJVXBACWSA-N- 분자식
- C30H46O8
- 평균 분자량
- 534.7 g/mol
- 단동위원소 질량
- 534.31926842
이름 및 식별자
- 우선 이름
- 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- IUPAC
- 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- 현지명
- 페리플로시마린
- 영어명
- Periplocymarin
- 분자식
- C30H46O8
- 분자량
- 534.68144
이름 및 동의어
3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one127-32-2DTXSID709257563-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide(8xi,9xi)-3beta-[(2,6-Dideoxy-3-O-methyl-beta-D-glycero-hexopyranosyl)oxy]-5,14-dihydroxy-5beta-card-20(22)-enolide페리플로시마린Periplocymarin3β-[(3-O-Methyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-5β-card-20(22)-enolide3β-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-5β-card-20(22)-enolide3β-(3-O-Methyl-2,6-dideoxy-β-D-ribo-hexopyranosyloxy)-5,14-dihydroxy-5β-cardanolide-20(22)-ene
데이터베이스 식별자
- CAS
127-32-2- PubChem CID
- 36145
- DTXSID
DTXSID70925756
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 983
화학 및 산업
공급사22 곳
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