(Q105140283)

English

(2S,4aS,4bR,7R,10aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one

1 reference

based on heuristic

inferred from SMILES

mass

610.33531242 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,4aS,4bR,7R,10aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one

1 reference

based on heuristic

inferred from InChI

(2R,4aR,4bS,7R,10aS)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₀O₁₁

0 references

canonical SMILES

O=C1C2=CC(C=C)(C)CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)C(C)(C)C3C1

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isomeric SMILES

C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@H]2CC1

0 references

found in taxon

Leucas aspera

1 reference

stated in

Diterpenes from Leucas aspera inhibiting prostaglandin-induced contractions

Identifiers

InChI

InChI=1S/C32H50O11/c1-7-31(5)10-8-17-16(13-31)18(34)12-20-30(3,4)21(9-11-32(17,20)6)42-29-27(25(38)23(36)19(14-33)41-29)43-28-26(39)24(37)22(35)15(2)40-28/h7,13,15,17,19-29,33,35-39H,1,8-12,14H2,2-6H3/t15-,17+,19-,20+,21+,22+,23-,24-,25+,26-,27-,28+,29+,31+,32-/m1/s1

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InChIKey

KFAKUSFWWBRWEJ-IRRKWJLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFAKUSFWWBRWEJ-IRRKWJLUSA-N

(Q105140283)

(2S,4aS,4bR,7R,10aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one

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