(Q105337684)

English

(1S,4S,9S,10S,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

0 references

mass

482.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4S,9S,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₂O₈

0 references

canonical SMILES

O=C1CCC2(C)C(CCC34CC(CCC32)C(O)(COC5OC(CO)C(O)C(O)C5O)C4)C1(C)C

0 references

isomeric SMILES

CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3

0 references

found in taxon

Rubus chingii var. suavissimus

1 reference

stated in

Sweet and bitter diterpene-glucosides from leaves of Rubus suavissimus.

Identifiers

InChI

InChI=1S/C26H42O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-17,19-22,27,29-32H,4-13H2,1-3H3/t14-,15-,16-,17-,19-,20+,21-,22-,24-,25+,26+/m1/s1

0 references

InChIKey

XOCBTSXQUYSHOW-QIHIBNGASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOCBTSXQUYSHOW-QIHIBNGASA-N

(Q105337684)

(1S,4S,9S,10S,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

Statements

Identifiers

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