Basic information
- CAS
31282-07-2- Standard SMILES
C/C=C1/[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)N2[C@H]3C[C@@H]1C1[C@@H](OC(C)=O)[C@@]4(C[C@@H]12)C3=Nc1ccccc14- InChIKey
OSJPGOJPRNTSHP-ICYIRATMSA-N- Molecular formula
- C27H32N2O8
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.21586598
Overview
Raucaffricine is a beta-D-glucoside. It is functionally related to a vomilenine.
Names & identifiers
- Preferred name
- Raucaffricine
- IUPAC
- [(1R,10S,12R,13E,14R,16S,18R)-13-ethylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
- English name
- (17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside
- Molecular formula
- C27H32N2O8
- Molecular weight
- 512.55
Names & synonyms
RaucaffricineCHEBI:17400(16S,17R,19E)-21alpha-(beta-D-glucopyranosyloxy)-1,2-didehydro-2,7-dihydro-7beta,17-cyclosarpagan-17-yl acetate31282-07-2((1R,10S,12R,13E,14R,16S,18R)-13-ethylidene-14-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-8,15-diazahexacyclo(14.2.1.01,9.02,7.010,15.012,17)nonadeca-2,4,6,8-tetraen-18-yl) acetate[(1R,10S,12R,13E,14R,16S,18R)-13-ethylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetateVomilenine b-D-glucosideRefChem:178656Vomilenine I2-D-glucosideSCHEMBL1782238FS-9319Q27102379
Show more names
RaucaffricinRaucaffiricineVomilenine β-D-glucosideVomilenine beta-D-glucosideVomilenine β-D-glucopyranosideVomilenine beta-D-glucopyranoside17-acetoxy-21-α-D-galactopyranosyloxy-22-nor-ajmala-1,19-diene
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.70(Predicted)
Chemistry & industry
Applications
UsesRaucaffricine (Raucaffricin) is a Diterpenoids product that can be isolated from the herbs of Taxus yunnanensis[1].
Suppliers27 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [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]
雷丁试剂0510-85629785 18013409632 · [email protected]
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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