(Q105280078)

English

[(1R,3aR,5Z,8S,9E,12R,12aS)-1,12-dihydroxy-6-(hydroxymethyl)-3a,10-dimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-8-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1,12-Dihydroxy-6-(hydroxymethyl)-3a,10-dimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-8-yl] acetate

1 reference

based on heuristic

inferred from SMILES

(1R,3aR,8R,12R)-1,12-dihydroxy-6-(hydroxymethyl)-1-isopropyl-3a,10-dimethyl-2H,3H,4H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-8-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

380.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₅

0 references

canonical SMILES

O=C(OC1C=C(C)CC(O)C2C(O)(CCC2(C)CC=C(CO)C1)C(C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1/C=C(\C)C[C@@H](O)[C@@H]2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(O)C(C)C

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found in taxon

Odontoschisma denudatum

1 reference

stated in

Novel ent-vibsane- and dolabellane-type diterpenoids from the liverwort Odontoschisma denudatum

Identifiers

InChI

InChI=1S/C22H36O5/c1-14(2)22(26)9-8-21(5)7-6-17(13-23)12-18(27-16(4)24)10-15(3)11-19(25)20(21)22/h6,10,14,18-20,23,25-26H,7-9,11-13H2,1-5H3/b15-10+,17-6-/t18-,19-,20-,21+,22-/m1/s1

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InChIKey

UVSDLGIXSNUFRQ-IIJIHJCRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UVSDLGIXSNUFRQ-IIJIHJCRSA-N

(Q105280078)

[(1R,3aR,5Z,8S,9E,12R,12aS)-1,12-dihydroxy-6-(hydroxymethyl)-3a,10-dimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-8-yl] acetate

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Identifiers

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