PhytoHub: Showing entry for Protodioscin

Protodioscin

Identification

PhytoHub ID

PHUB002575

Name

Protodioscin

Systematic Name

Not Available

Synonyms

Furost-5-ene-3,22,26-triol; (3β,22R,25R)-form, 3-O-[α-L-Rhamnopyranosyl-(1→2)-[α-L-rhamnopyranosyl-
Saponin C

CAS Number

55056-80-9

Average Mass

1049.211

Monoisotopic Mass

1048.545424345

Chemical Formula

C₅₁H₈₄O₂₂

IUPAC Name

Not Available

InChI Key

LVTJOONKWUXEFR-UEZXSUPNSA-N

InChI Identifier

InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,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+,51-/m1/s1

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

Structure