(Q105183775)

English

[(1aR,1bS,3R,3aR,5R,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cyclopimarane diterpenoid

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mass

456.151136256 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₃BrO₅

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canonical SMILES

O=C(OC1CC2(C3=CCC(C)(CC3C(O)CC2C4(CO)CC14)C(Br)CO)C)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@]2(CO)C[C@@H]12

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found in taxon

Laurencia saitoi

1 reference

stated in

Diterpenoid feeding-deterrents from Laurencia saitoi

Identifiers

InChI

InChI=1S/C22H33BrO5/c1-12(26)28-17-9-21(3)14-4-5-20(2,19(23)10-24)7-13(14)16(27)6-18(21)22(11-25)8-15(17)22/h4,13,15-19,24-25,27H,5-11H2,1-3H3/t13-,15+,16-,17-,18+,19+,20-,21+,22+/m1/s1

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InChIKey

NQFSWQKJYOCNSD-XLHHYWFZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105183775)

[(1aR,1bS,3R,3aR,5R,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate

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Identifiers

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