(Q105384880)

English

(2R,3R,4S,5S,6R)-2-[(2R)-2-[(2S,4aR,4bS,7S,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethoxy]-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-[2-hydroxy-2-(7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

484.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₈

0 references

canonical SMILES

OCC1OC(OCC(O)C2(C=C3CCC4C(C)(C)C(O)CCC4(C)C3CC2)C)C(O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Oedera calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Identifiers

InChI

InChI=1S/C26H44O8/c1-24(2)17-6-5-14-11-25(3,9-7-15(14)26(17,4)10-8-18(24)28)19(29)13-33-23-22(32)21(31)20(30)16(12-27)34-23/h11,15-23,27-32H,5-10,12-13H2,1-4H3/t15-,16-,17-,18+,19+,20-,21+,22-,23-,25+,26+/m1/s1

0 references

InChIKey

ZWEVPQYCCYWCGH-YWUVFKSHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZWEVPQYCCYWCGH-YWUVFKSHSA-N

(Q105384880)

(2R,3R,4S,5S,6R)-2-[(2R)-2-[(2S,4aR,4bS,7S,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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