(Q105314721)

English

(3R,5R,8R,9R,10R,12R,13S,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

chemical compound

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instance of

type of chemical entity

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subclass of

(8R,10R,12R,13R,17R)-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

1 reference

based on heuristic

inferred from SMILES

17-(2-Hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

1 reference

based on heuristic

inferred from SMILES

mass

476.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R,8R,9S,10R,12R,13S,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

2 references

based on heuristic

inferred from InChIKey

1 reference

(3R,5S,8R,9R,10R,12R,13R,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

1 reference

based on heuristic

inferred from InChI

(3R,5R,8R,9R,10R,12S,13R,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₄

0 references

canonical SMILES

OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C4(C)CCC(O)(C14)C(O)(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C

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found in taxon

Betula pendula

1 reference

stated in

Triterpenoids of the outer bark ofBetula maximowicziana

Identifiers

InChI

InChI=1S/C30H52O4/c1-19(2)10-9-13-29(8,33)30(34)17-16-28(7)24(30)20(31)18-22-26(5)14-12-23(32)25(3,4)21(26)11-15-27(22,28)6/h10,20-24,31-34H,9,11-18H2,1-8H3/t20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1

0 references

InChIKey

WXLOZJGXIWMQEC-RMEASJAKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105314721)

(3R,5R,8R,9R,10R,12R,13S,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol

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