(Q105229438)

English

(2S,3S,4R,5R,6S)-2-[[(2R,4aS,4bS,7S,10aR)-7-[(1S)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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type of chemical entity

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subclass of

2-{[7-(1,2-dihydroxyethyl)-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

484.303618368 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₄O₈

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canonical SMILES

OCC(O)C1(C=C2CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)C2CC1)C

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isomeric SMILES

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

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found in taxon

Wollastonia biflora

1 reference

stated in

Cytotoxic germacrane-type sesquiterpenes, pimarane-type diterpenes, and a naphthalene derivative from Wollastonia biflora

Identifiers

InChI

InChI=1S/C26H44O8/c1-24(2)17-6-5-14-11-25(3,18(29)13-28)9-7-15(14)26(17,4)10-8-19(24)34-23-22(32)21(31)20(30)16(12-27)33-23/h11,15-23,27-32H,5-10,12-13H2,1-4H3/t15-,16-,17-,18+,19+,20-,21+,22-,23+,25-,26-/m0/s1

0 references

InChIKey

QWWPCQGHWWNGET-ZPGRLJJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWWPCQGHWWNGET-ZPGRLJJOSA-N

1 reference

(Q105229438)

(2S,3S,4R,5R,6S)-2-[[(2R,4aS,4bS,7S,10aR)-7-[(1S)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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