[(2R,3S,4R,5R,6R)-3-acetyloxy-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
기본 정보
- CAS
101365-10-0- 표준 SMILES
CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@@]3(C)C4[C@H](O)C=C5[C@H](CCC(O[C@@H]6OC[C@@H](OC(C)=O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@H](C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O- InChIKey
CASUNJDNTPMYBY-MYXCKKJYSA-N- 분자식
- C47H74O15
- 평균 분자량
- 879.1 g/mol
- 단동위원소 질량
- 878.50277165
개요
CASUNJDNTPMYBY-MYXCKKJYSA-N has been reported in Hebeloma vinosophyllum with data available.
이름 및 식별자
- 우선 이름
- [(2R,3S,4R,5R,6R)-3-acetyloxy-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
- IUPAC
- [(2R,3S,4R,5R,6R)-3-acetyloxy-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
이름 및 동의어
Hebevinoside VIII101365-10-0
데이터베이스 식별자
- CAS
101365-10-0- PubChem CID
- 180967
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 217 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,710
관련 반응
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