기본 정보
- CAS
1263-94-1- 표준 SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC.O=P(O)(O)O- InChIKey
DDFUAKBZKZESMV-BQTSRIDJSA-N- 분자식
- C33H43N2O13P
- 평균 분자량
- 706.7 g/mol
- 단동위원소 질량
- 706.25027643
이름 및 식별자
- 우선 이름
- Reserpine phosphate
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;phosphoric acid
이름 및 동의어
Reserpine phosphate1263-94-1N17XZO8L8GUNII-N17XZO8L8G3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), phosphate3.BETA.,20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLIC ACID, 18.BETA.-HYDROXY-11,17.ALPHA.-DIMETHOXY-METHYL ESTER 3,4,5-TRIMETHOXYBENZOATE (ESTER), PHOSPHATEYOHIMBAN-16-CARBOXYLIC ACID, 11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-, PHOSPHATEYohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, phosphateYOHIMBAN-16-CARBOXYLIC ACID, 11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3BETA,16BETA,17ALPHA,18BETA,20ALPHA)-, PHOSPHATERefChem:2028553BETA,20ALPHA-YOHIMBAN-16BETA-CARBOXYLIC ACID, 18BETA-HYDROXY-11,17ALPHA-DIMETHOXY-METHYL ESTER 3,4,5-TRIMETHOXYBENZOATE (ESTER), PHOSPHATESCHEMBL9782075
이름 더 보기
DTXSID80925500Phosphoric acid--methyl 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate (1/1)Phosphoric acid--methyl 11,17alpha-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate (1/1)
물성
구조 계산 물성
- 극성 표면적
- 196 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,050
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