(Q105194894)

English

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[[4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

614.366612548 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₄O₁₁

0 references

canonical SMILES

OCC1OC(OC2CC(C)C(C)(CCC(O)(C=C)C)C3CCC=C(C)C23C)C(OC4OC(C)C(O)C(O)C4O)C(O)C1O

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isomeric SMILES

C=C[C@@](C)(O)CC[C@@]1(C)[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@]2(C)C(C)=CCC[C@H]12

0 references

found in taxon

Diplopterygium glaucum

2 references

stated in

Fern Constituents: Four New Diterpenoid Glycosides from Fresh Leaflets of Gleichenia japonica.

stated in

Biologically Active Novel Clerodane-type Diterpene Glycosides from the Root-stalks ofGleichenia japonica

Gleichenia japonica

2 references

stated in

Fern Constituents: Four New Diterpenoid Glycosides from Fresh Leaflets of Gleichenia japonica.

stated in

Biologically Active Novel Clerodane-type Diterpene Glycosides from the Root-stalks ofGleichenia japonica

Identifiers

InChI

InChI=1S/C32H54O11/c1-8-30(5,39)12-13-31(6)17(3)14-21(32(7)16(2)10-9-11-20(31)32)42-29-27(25(37)23(35)19(15-33)41-29)43-28-26(38)24(36)22(34)18(4)40-28/h8,10,17-29,33-39H,1,9,11-15H2,2-7H3/t17-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-,28+,29+,30-,31+,32+/m1/s1

0 references

InChIKey

ONLXJASEXIXGRM-JTVTUJFDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ONLXJASEXIXGRM-JTVTUJFDSA-N

(Q105194894)

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Statements

Identifiers

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