Basic information
- CAS
135683-73-7- Standard SMILES
CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3- InChIKey
MPDUJZZNNBJFAB-XYYNDNLRSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Overview
ent-3-Oxokaurane-16,17-diol has been reported in Euphorbia sieboldiana, Euphorbia ebracteolata, and other organisms with data available.
Names & identifiers
- Preferred name
- 16-Epiabbeokutone
- IUPAC
- (1S,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
- English name
- Nsc692967
- Molecular formula
- C20H32O3
- Molecular weight
- 320.47
Names & synonyms
16-Epiabbeokutoneent-16S,17-Dihydroxykauran-3-one135683-73-7NSC692967Ent-16|A,17-dihydroxykauran-3-oneNSC 692967Kauran-3-one, 16,17-dihydroxy-, (16alpha)-(1S,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one16,17-dihydroxykauran-3-onehydroxy-(hydroxymethyl)-trimethyl-[?]oneent-3-Oxokaurane-16,17-dioDTXSID20929108
Show more names
Aids002923Aids-002923ent-3-Oxokaurane-16,17-diolent-3-Oxokaurane-16α,17-dioKauran-3-one, 16,17-dihydroxy-, (16α)-Kauran-3-one, 16,17-dihydroxy-, (16.alpha.)-
14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-oneHY-N1596AKOS032948580ent-16(S),17-Dihydroxykauran-3-oneNSC-692967Ent-3-oxokaurane-16| cent,17-diolDA-59882Ent-16| cent,17-dihydroxykauran-3-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 460 · 460.0±40.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.60(Predicted)
Chemistry & industry
Applications
UsesEnt-16α,17-dihydroxykauran-3-one is a diterpenoid, which can be isolated from the roots of Euphorbia ebracteolata[1].
Suppliers25 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
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上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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