(Q104912814)

English

(2S,3R,5S,8R,9S,10S,13S,14S,17E)-17-ethylidene-2,3-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-16-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

17-Ethylidene-2,3-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,5S,8R,9S,10S,13S,14S,17Z)-17-ethylidene-2,3-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-16-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₃

0 references

canonical SMILES

O=C1C(=CC)C2(C)CCC3C(CCC4CC(O)C(O)CC43C)C2(C)C1

0 references

isomeric SMILES

C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

0 references

found in taxon

Aglaia forbesii

1 reference

stated in

Flavaglines and triterpenoids from the leaves of Aglaia forbesii

Identifiers

InChI

InChI=1S/C22H34O3/c1-5-14-18(24)12-22(4)16-7-6-13-10-17(23)19(25)11-20(13,2)15(16)8-9-21(14,22)3/h5,13,15-17,19,23,25H,6-12H2,1-4H3/b14-5-/t13-,15-,16+,17+,19-,20-,21+,22-/m0/s1

0 references

InChIKey

AIJGMSCJJXMPCV-YXKHCCBRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AIJGMSCJJXMPCV-YXKHCCBRSA-N

(Q104912814)

(2S,3R,5S,8R,9S,10S,13S,14S,17E)-17-ethylidene-2,3-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-16-one

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