6-Deoxotyphasterol
기본 정보
- CAS
164034-47-3- 표준 SMILES
CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WPHVOXMMNSLJSF-DAWJDVIISA-N- 분자식
- C28H50O3
- 평균 분자량
- 434.7 g/mol
- 단동위원소 질량
- 434.37599545
개요
6-deoxotyphasterol is typhasterol in which the oxygen atom of the keto group has been substituted by two hydrogen atoms. A member of a biosynthetic pathway to castasterone, it has been isolated from the primary roots of maize. It is a sterol, a (22S)-22-hydroxy C28-steroid, a brassinosteroid, a 3alpha-hydroxy steroid, a 22-hydroxy steroid and a 23-hydroxy steroid. It is functionally related to a typhasterol.
이름 및 식별자
- 우선 이름
- 6-Deoxotyphasterol
- IUPAC
- (2S,3R,4R,5S)-2-[(3R,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol
- 영어명
- Ergostane-3,22,23-triol, (3α,5α,22R,23R,24S)-
- 분자식
- C28H50O3
- 분자량
- 434.71
이름 및 동의어
6-Deoxotyphasteroldeoxotyphasterol5alpha-campestan-3alpha,22R,23R-triol(22R,23R,24S)-5alpha-ergostane-3alpha,22,23-triol164034-47-3DTXSID1040954CHEBI:20717(2S,3R,4R,5S)-2-[(3R,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol(3alpha,5alpha,22R,23R,24S)-ergostane-3,22,23-triol(2S,3R,4R,5S)-2-((3R,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)-5,6-dimethylheptane-3,4-diolRefChem:104504DTXCID9020954
이름 더 보기
6-DEOXYTYPHASTEROL (6deoxoTY)Ergostane-3,22,23-triol, (3α,5α,22R,23R,24S)-
ST 28:0;O36-DeoxytyphasterolSCHEMBL1517829LMST01030126Q27109346
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 634
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Ergosterols and C24-methyl derivatives [ST0103]
물리화학적 성질
- 끓는 점
- 551.4 · 551.4±20.0 °C(Predicted)
- 밀도
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.29 · 14.29±0.20(Predicted)
화학 및 산업
응용 분야
용도6-Deoxytyphasterol can be used in biological study for synergistic effect of auxins and brassinosteroids on the growth and regulation of metabolite content in Chlorella vulgaris.
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