(Q104401543)

English

2-[6-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₇H₇₆O₁₇

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

912.508250972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₇₆O₁₇

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canonical SMILES

OCC1OC(OC2C(O)C(OC(C)C2O)OC3CCC4(C)C5C=CC67OCC8(CCC(C)(C)CC68)C(O)CC7(C)C5(C)CCC4C3(C)CO)C(O)C(O)C1OC9OCC(O)C(O)C9O

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found in taxon

Scrophularia

2 references

stated in

Crypthophilic Acids A, B, and C: Resin Glycosides from Aerial Parts of Scrophularia crypthophila

stated in

Crypthophilic acids A, B, and C: resin glycosides from aerial parts of Scrophularia crypthophila

Scrophularia kakudensis

1 reference

stated in

Scrophulasaponins II-IV, new saikosaponin homologs from Scrophularia kakudensis FRANCH

Identifiers

InChI

InChI=1S/C47H76O17/c1-22-30(52)37(64-39-34(56)32(54)36(24(18-48)61-39)63-38-33(55)31(53)23(50)19-58-38)35(57)40(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,8,10-12,14-21H2,1-7H3

0 references

InChIKey

VPAUQBZVUAZUKS-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104401543)

2-[6-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Statements

Identifiers

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