Fusidic acid hemihydrate

HCID 46174085
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기본 정보

CAS
172343-30-5
표준 SMILES
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O.CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O.O
InChIKey
CSXHKOSAWQTJBT-YDYKLMMDSA-N
분자식
C62H98O13
평균 분자량
1,051.4 g/mol
단동위원소 질량
1,050.7007432

이름 및 식별자

우선 이름
Fusidic acid hemihydrate
IUPAC
bis((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid);hydrate

이름 및 동의어

Fusidic acid hemihydrateFusidic acid (hemihydrate)172343-30-5UNII-W540G73230W540G73230DTXSID5016925729-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, hydrate (2:1), (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-FUSIDIC ACID HEMIHYDRATE [WHO-DD]29-NORDAMMARA-17(20),24-DIEN-21-OIC ACID, 16-(ACETYLOXY)-3,11-DIHYDROXY-, HYDRATE (2:1), (3.ALPHA.,4.ALPHA.,8.ALPHA.,9.BETA.,11.ALPHA.,13.ALPHA.,14.BETA.,16.BETA.,17Z)-RefChem:141985DTXCID8091748Fucithalmic (TN)
이름 더 보기
SCHEMBL4214429CSXHKOSAWQTJBT-YDYKLMMDSA-ND08003Q27292316(17Z)-16beta-(Acetyloxy)-3alpha,11alpha-dihydroxy-4alpha,8,14-trimethyl-5alpha,8alpha,9beta,13alpha,14beta-18-norcholesta-17,24-dien-21-oic acid--water (2/1)(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;hydrate

데이터베이스 식별자

CAS
172343-30-5
PubChem CID
46174085
DTXSID
DTXSID50169257
UNII
W540G73230

물성

구조 계산 물성

극성 표면적
209 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
13
회전 가능 결합 수
12
무거운 원자 수
75

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