(Q104915387)

English

[(1S,4aR,6S,6aS,7S,11aS,11bS)-7-formyl-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(7-formyl-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aR,6S,6aR,7S,11aS,11bS)-7-formyl-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=CC1C=2C=COC2CC3C1C(O)CC4(O)C(C)(C)CCC(OC(=O)C)C34C

0 references

isomeric SMILES

CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C=O)c4ccoc4C[C@@H]3[C@@]12C

0 references

found in taxon

Caesalpinia crista

1 reference

stated in

Constituents of Caesalpinia crista from Indonesia

Identifiers

InChI

InChI=1S/C22H30O6/c1-12(24)28-18-5-7-20(2,3)22(26)10-16(25)19-14(11-23)13-6-8-27-17(13)9-15(19)21(18,22)4/h6,8,11,14-16,18-19,25-26H,5,7,9-10H2,1-4H3/t14-,15+,16+,18+,19-,21+,22-/m1/s1

0 references

InChIKey

ANSREVRTPGYVNC-MCMNNMCNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ANSREVRTPGYVNC-MCMNNMCNSA-N

(Q104915387)

[(1S,4aR,6S,6aS,7S,11aS,11bS)-7-formyl-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate

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Identifiers

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