Basic information
- CAS
83509-42-6- Standard SMILES
CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WADMTJKRYLAHQV-NKOPCKDMSA-N- Molecular formula
- C29H50O5
- Average molar mass
- 478.7 g/mol
- Monoisotopic mass
- 478.36582469
Overview
2,3,22,23-Tetrahydroxystigmastan-6-one has been reported in Secale cereale with data available.
Names & identifiers
- Preferred name
- Homocastasterone
- IUPAC
- (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
- English name
- homocastasterone
- Molecular formula
- C29H50O5
- Molecular weight
- 478.7
Names & synonyms
Homocastasterone83509-42-62,3,22,23-Tetrahydroxystigmastan-6-one2,3,22,23-Tetrahydroxy-5alpha-stigmastan-6-oneDTXSID101003492(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-oneStigmastan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22R,23R)-(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-((2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-6-oneRefChem:146707DTXCID60143040428-Homo Castasterone28-homocastasterone
Show more names
(2α,3α,5α,22R,23R)-2,3,22,23-TetrahydroxystigMastan-6-oneStigmastan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)-
(24S)-24-EthylbrassinoneCHEMBL488432SCHEMBL20561406FH23839BA793800-32F2-4D3D-A855-8E2AE466F94F(2a,3a,5a,22R,23R)-2,3,22,23-Tetrahydroxystigmastan-6-one(22R,23R)-2alpha,3alpha,22,23-Tetrahydroxy-5alpha-stigmastan-6-one(22r,23r,24s)-2a,3a,22,23-tetrahydroxy-24-ethyl-5a-cholestan-6-one
Database identifiers
- CAS
83509-42-6- PubChem CID
- 5487654
- DTXSID
DTXSID101003492- ChEMBL
CHEMBL488432- Nikkaji
- J416.558F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 753
Chemistry & industry
Applications
UsesCastasterone (C226500) analog. A new brassinosteroid derivative assayed against herpes simplex virus type 1 and 2 in cell cultures.
Upstream & downstream products
Downstream products
Suppliers11 total
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
ChemExpress+86-021-58950125 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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