(Q104399460)

English

(2R,3R,4S,5S,6R)-2-[[(1S,4S,6S,9S,10R,13R,14R)-6,14-dihydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

484.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₈

0 references

canonical SMILES

OCC1OC(OCC2(O)CC34CCC5C(C)(C)C(O)CCC5(C)C4CCC2C3)C(O)C(O)C1O

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isomeric SMILES

CC1(C)[C@@H](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

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found in taxon

Rubus chingii var. suavissimus

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stated in

Minor diterpene glycosides from sweet leaves of Rubus suavissimus

stated in

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

Identifiers

InChI

InChI=1S/C26H44O8/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/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1

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InChIKey

KCTSUIMXVGYXPH-GPANMQAPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KCTSUIMXVGYXPH-GPANMQAPSA-N

SureChEMBL ID

SCHEMBL527086

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KCTSUIMXVGYXPH-GPANMQAPSA-N

1 reference

(Q104399460)

(2R,3R,4S,5S,6R)-2-[[(1S,4S,6S,9S,10R,13R,14R)-6,14-dihydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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