Basic information
- CAS
881388-88-1- Standard SMILES
C[C@@H]1CN2C[C@H]3CCC(=O)C4=C(CCO)CC[C@@]45C(=O)[C@@H]1C[C@@H]2[C@@]35C- InChIKey
XALHQXXUICHGPI-YSQOEHLKSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Names & identifiers
- Preferred name
- Daphniyunnine B
- IUPAC
- (1S,9S,13S,14R,16R,17S)-4-(2-hydroxyethyl)-13,17-dimethyl-11-azapentacyclo[12.3.1.01,5.09,17.011,16]octadec-4-ene-6,18-dione
- English name
- Daphniyunnine B
- Molecular formula
- C21H29NO3
- Molecular weight
- 343.46
Names & synonyms
Daphniyunnine B881388-88-1(1s,9s,13s,14r,16r,17s)-4-(2-hydroxyethyl)-13,17-dimethyl-11-azapentacyclo[12.3.1.01,5.09,17.011,16]octadec-4-ene-6,18-dione(6aS,8S,10S,11R,12aR,12bS,12cS)-1,2,5,6,6a,7,9,10,11,12,12a,12b-Dodecahydro-3-(2-hydroxyethyl)-10,12b-dimethyl-4H-11,12c-methanoazuleno[4,5-a]indolizine-4,13-dioneorb1682839DTXSID001099503TN3770AKOS040761573CS-01491034H-11,12c-Methanoazuleno[4,5-a]indolizine-4,13-dione, 1,2,5,6,6a,7,9,10,11,12,12a,12b-dodecahydro-3-(2-hydroxyethyl)-10,12b-dimethyl-, (6aS,8S,10S,11R,12aR,12bS,12cS)-
Database identifiers
- CAS
881388-88-1- PubChem CID
- 11638745
- DTXSID
DTXSID001099503- Nikkaji
- J2.315.242H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- Boiling point
- 521.6 · 521.6±50.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 15.04 · 15.04±0.10(Predicted)
Chemistry & industry
Applications
UsesDaphniyunnine B is a Alkaloids product that can be isolated from the leaves and stems of Daphniphyllum macropodum Miq.[1].
Suppliers9 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
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]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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