(Q104909845)

English

[(4aS,4bR,6R,6aR,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[(4aS,6aS,7R,10bR)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

1 reference

based on heuristic

inferred from SMILES

(7,8-Diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

428.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

12alpha-Acetoxy-4,4,8-trimethyl-D-homo-5alpha-androst-16-ene-17,17aalpha-dicarbaldehyde

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(4aR,4bR,6R,6aS,7R,10aR,10bS,12aR)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(4aS,4bR,6S,6aR,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₄

0 references

canonical SMILES

O=CC1=CCC2C3(C)CCC4C(C)(C)CCCC4(C)C3CC(OC(=O)C)C2(C)C1C=O

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]21C

0 references

found in taxon

Spongia agaricina

1 reference

stated in

New Metabolites from the SpongeSpongia agaricina

Identifiers

InChI

InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23+,25-,26-,27-/m0/s1

0 references

InChIKey

ADWFEADZGIHPDE-DAMKKYNUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ADWFEADZGIHPDE-DAMKKYNUSA-N

(Q104909845)

[(4aS,4bR,6R,6aR,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

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