Stevioside

C₃₈H₆₀O₁₈CAS 57817-89-7804.88 g/mol

Open in Covalent MOL file

Acetal Alcohol Alkene Ester Ether

Properties

Molecular formula: C₃₈H₆₀O₁₈
Molar mass: 804.88 g/mol
Exact mass: 804.3780 Da
Melting point: 198 °C
logP: -2.94Crippen estimate
Polar surface area: 295.0 Å²
H-bond donors / acceptors: 11 / 18
Rotatable bonds: 9
Stereocentres: R, S, S, R, S, R, S, S, R, R, S, S, R, S, S, R, S, R, S, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation14.3% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

57817-89-7

SMILES

C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3

InChIKey

UEDUENGHJMELGK-HYDKPPNVSA-N

InChI

InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Kaur-16-en-18-oic acid, 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (4α)-
1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
Steviosin
α-G-Sweet
Stevian 50
E 960
1,2-Stevioside

Work with Stevioside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rebaudioside D63279-13-093 % similar Rebaudioside A58543-16-193 % similar Rebaudioside M1220616-44-390 % similar Rubusoside64849-39-490 % similar Rebaudioside C63550-99-286 % similar Rebaudioside N1220616-46-583 % similar Steviolbioside41093-60-182 % similar Steviol471-80-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Rebaudioside G127345-21-5 Rebaudioside B58543-17-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia