(Q105172369)

English

(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(1S,2R,4aS,5S,8aR)-5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

594.288756152 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₆O₁₄

0 references

canonical SMILES

OCC1OC(OCC2OC(OC3C4C(=C)CCC(O)C4(CO)CCC3C(O)(C)C)C(O)C(O)C2O)C(O)C(O)C1O

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isomeric SMILES

C=C1CC[C@H](O)[C@@]2(CO)CC[C@@H](C(C)(C)O)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

0 references

found in taxon

Dictamnus dasycarpus

2 references

stated in

Seven new sesquiterpene glycosides from the root bark of Dictamnus dasycarpus

stated in

Sesquiterpene glycosides from Dictamnus dasycarpus

Identifiers

InChI

InChI=1S/C27H46O14/c1-11-4-5-15(30)27(10-29)7-6-12(26(2,3)37)23(16(11)27)41-25-22(36)20(34)18(32)14(40-25)9-38-24-21(35)19(33)17(31)13(8-28)39-24/h12-25,28-37H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24+,25+,27+/m1/s1

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InChIKey

MUHQVUVBSBAZQQ-QMAQORJASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MUHQVUVBSBAZQQ-QMAQORJASA-N

(Q105172369)

(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(1S,2R,4aS,5S,8aR)-5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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