(Q105193674)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₃

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canonical SMILES

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

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isomeric SMILES

C=C(C)CCC[C@](C)(O)[C@H]1CC[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/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24+,25+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

OKPIBBOLEJSSTE-CIEUHDANSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OKPIBBOLEJSSTE-CIEUHDANSA-N

(Q105193674)

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

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Identifiers

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