CAS Registry Number®
CAS Name
Protodioscin
Molecular Formula
C51H84O22
Molecular Mass
1049.20
Other Names and Identifiers
InChI
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
InChIKey
InChIKey=LVTJOONKWUXEFR-UEZXSUPNSA-N
SMILES
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](CO)O5)CC4)[H])[H])(C[C@]8([C@@]2([C@H](C)[C@](CC[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C)(O)O8)[H])[H])[H]
Canonical SMILES
OCC1OC(OCC(C)CCC2(O)OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranoside, (3β,22α,25R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
- (3β,22α,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside
- Protodioscin
- 3β,22α,26-Trihydroxyfurost-5-ene 3-O-β-chacotrioside 26-O-β-D-glucopyranoside
- 26-O-β-D-Glucopyranosyl-(25R)-furost-5-ene-3β,22α,26-triol 3-O-α-L-rhamnopyranosyl-(1-2)-[α-L-rhamnopyranosyl-(1-4)]-β-D-glucopyranoside
Deleted or Replaced CAS Registry Numbers
221527-54-4
