(Q105031718)

English

1-[(2R,4aS,4bR,6R,7S,8aR)-6,7-dihydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone

chemical compound

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type of chemical entity

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subclass of

1-(6,7-dihydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone

1 reference

based on heuristic

inferred from SMILES

mass

498.282882924 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₂O₉

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canonical SMILES

O=C(COC1OC(CO)C(O)C(O)C1O)C2(C=C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC2)C

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isomeric SMILES

CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@@](C)(C(=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C=C3CC[C@@H]12

0 references

found in taxon

Dendrobium xantholeucum

1 reference

stated in

Q104918945

Identifiers

InChI

InChI=1S/C26H42O9/c1-24(2)17-6-5-13-9-25(3,8-7-14(13)26(17,4)10-15(28)22(24)33)18(29)12-34-23-21(32)20(31)19(30)16(11-27)35-23/h9,14-17,19-23,27-28,30-33H,5-8,10-12H2,1-4H3/t14-,15+,16+,17-,19+,20+,21-,22+,23+,25+,26+/m0/s1

0 references

InChIKey

HPIPPPLPDWDXHM-COLGKGJBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HPIPPPLPDWDXHM-COLGKGJBSA-N

(Q105031718)

1-[(2R,4aS,4bR,6R,7S,8aR)-6,7-dihydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone

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