(Q105381283)

English

(3R,5R,8R,9R,10R,12R,13S,14R,17S)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-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-(2,6-dihydroxy-6-methylhept-4-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

476.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,5R,8R,9S,10R,12R,13S,14R,17S)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-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

2 references

based on heuristic

inferred from InChIKey

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(C14)C(O)(C)CC=CC(O)(C)C

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isomeric SMILES

CC(C)(O)/C=C/C[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

0 references

found in taxon

Betula pendula

1 reference

stated in

Triterpenoids of the outer bark ofBetula maximowicziana

Identifiers

InChI

InChI=1S/C30H52O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-24,31-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

ZPWXYWSEQUKIHA-PEMYPFSGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105381283)

(3R,5R,8R,9R,10R,12R,13S,14R,17S)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-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

Statements

Identifiers

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