CAS: 17406-45-0 - Tomatine
Formula:C50H83NO21
InChI:InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1
InChI key:InChIKey=REJLGAUYTKNVJM-SGXCCWNXSA-N
SMILES:OCC1OC(OC2C(OC(CO)C(O)C2OC3OCC(O)C(O)C3O)OC4C(O)C(O)C(OC5CCC6(C)C(CCC7C6CCC8(C)C7CC9OC%10(NCC(C)CC%10)C(C)C98)C5)OC4CO)C(O)C(O)C1O
- Synonyms:
- (3beta,5alpha,22beta,25S)-Spirosolan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl)-(1-3))-O-(beta-D-glucopyranosyl-(1-4)-beta-D-Galactopyranoside
- (3beta,5alpha,25S)-spirosolan-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
- (3β,5α,22β,25S)-Spirosolan-3-yl O-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</smallcap>-xylopyranosyl-(1→3)]-O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→4)-β-<smallcap>D</span>-galactopyranoside
- A''-Tomatidine
- Ai3-17141
- Brn 0078250
- Hsdb 3558
- Lycopersicin
- Nsc 234440
- Nsc 9223
- See more synonyms
- Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-piperidine], β-<span class="text-smallcaps">D</span>-galactopyranoside deriv.
- Spirosolane, β-<span class="text-smallcaps">D</span>-galactopyranoside deriv.
- Tomatidine, glycoside
- Tomatin
- alpha-Tomatine
- beta-D-Galactopyranoside, (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-
- α-Tomatine
- β-<span class="text-smallcaps">D</smallcap>-Galactopyranoside, (3β,5α,22β,25S)-spirosolan-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</smallcap>-xylopyranosyl-(1→3)]-O-β-<smallcap>D</span>-glucopyranosyl-(1→4)-
- Spirosolane, β-D-galactopyranoside deriv.
- 4-27-00-01954 (Beilstein Handbook Reference)
- β-D-Galactopyranoside, (3β,5α,22β,25S)-spirosolan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-
- Tomatine
- Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-piperidine], β-D-galactopyranoside deriv.