(Q105121839)

English

(2S,3R,4S,5R)-2-[(3S)-5-[(1S,2S,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxyoxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-1-en-3-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

440.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₄O₆

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canonical SMILES

OC1COC(OC(C=C)(C)CCC2C(O)(C)CCC3C(C)(C)CCCC23C)C(O)C1O

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isomeric SMILES

C=C[C@](C)(CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Erigeron trihecatactis

1 reference

stated in

Diterpenes and diterpene xylosides from Conyza trihecatactis

Identifiers

InChI

InChI=1S/C25H44O6/c1-7-23(4,31-21-20(28)19(27)16(26)15-30-21)13-9-18-24(5)12-8-11-22(2,3)17(24)10-14-25(18,6)29/h7,16-21,26-29H,1,8-15H2,2-6H3/t16-,17-,18+,19+,20-,21+,23-,24-,25+/m1/s1

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InChIKey

IWSLLWVEHDTIGC-SLSCWANQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105121839)

(2S,3R,4S,5R)-2-[(3S)-5-[(1S,2S,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxyoxane-3,4,5-triol

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Identifiers

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