(Q104972790)

English

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

476.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(20S,24R)-Dammar-25-ene-3alpha,12beta,20,24-tetrol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(20S,24S)-Dammar-25-ene-3alpha,12beta,20,24-tetrol

1 reference

based on heuristic

inferred from InChI

(3R,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5R)-2,5-dihydroxy-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 InChI

chemical formula

C₃₀H₅₂O₄

0 references

canonical SMILES

OC(C(=C)C)CCC(O)(C)C1CCC2(C)C1C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC32C

0 references

isomeric SMILES

C=C(C)[C@H](O)CC[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/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-25,31-34H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24+,25+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

CZGYKNXFDCANHD-YHEQTHGQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CZGYKNXFDCANHD-YHEQTHGQSA-N

(Q104972790)

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