(Q105283543)

English

3-[(2R,3R,5S,8R,9S,10R,11R,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[3-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

568.288362228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₁₁

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(CO)C(O)C(O)C6)C(O)CC5(C)C4C(O)CC23C

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isomeric SMILES

C[C@]12C[C@@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](CO)O3)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O

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found in taxon

Ornithogalum nutans

1 reference

stated in

Cardenolide aus Ornithogalum nutans (2 n = 30), 2. Mitteilung+ / Cardenolides from Ornithogalum nutans (2 n = 30), Part 2+

Identifiers

InChI

InChI=1S/C29H44O11/c1-26-10-19(33)24-16(29(26,37)6-4-15(26)14-7-22(34)38-13-14)3-5-28(36)11-20(18(32)9-27(24,28)2)39-23-8-17(31)25(35)21(12-30)40-23/h7,15-21,23-25,30-33,35-37H,3-6,8-13H2,1-2H3/t15-,16-,17+,18-,19-,20-,21-,23-,24-,25+,26-,27-,28+,29+/m1/s1

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InChIKey

VBXIVVAPBPQZON-FYCHIPSZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBXIVVAPBPQZON-FYCHIPSZSA-N

(Q105283543)

3-[(2R,3R,5S,8R,9S,10R,11R,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Identifiers

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