(Q105026326)

English

(3S,5S,8R,9R,10S,11R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-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-3,11-diol

chemical compound

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instance of

type of chemical entity

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subclass of

1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthrene-7,10-diol

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(20S)-5alpha-Dammar-24-ene-3beta,11alpha,20-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R,8R,9R,10S,11R,13R,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-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-3,11-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₃

0 references

canonical SMILES

OC1CC2C(CCC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C13)C(O)(C)CCC=C(C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Betula ermanii

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. I. Constituents of Betula ermanii.

Identifiers

InChI

InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-28(6)21(20)18-22(31)25-27(5)15-13-24(32)26(3,4)23(27)12-17-29(25,28)7/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22+,23+,24-,25+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

HDGNTQDYNULCKE-MPLUCSPZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HDGNTQDYNULCKE-MPLUCSPZSA-N

(Q105026326)

(3S,5S,8R,9R,10S,11R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-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-3,11-diol

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