(Q104982176)

English

(2aS)-6beta-[(S)-Oxiranyl]-1,2,2a,2balpha,3,4,4abeta,5,6,7,8b,9,10,10abeta-tetradecahydro-6,8bbeta-dimethylcyclobuta[a]phenanthrene-2abeta,4beta,10beta-triol 10-acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[8,11-Dihydroxy-1,5-dimethyl-5-(oxiran-2-yl)-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

376.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₅

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canonical SMILES

O=C(OC1CC2(C3=CCC(C)(CC3C(O)CC2C4(O)CCC14)C5OC5)C)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@H]4CO4)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(O)CC[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/C22H32O5/c1-12(23)27-17-10-21(3)14-4-6-20(2,19-11-26-19)9-13(14)16(24)8-18(21)22(25)7-5-15(17)22/h4,13,15-19,24-25H,5-11H2,1-3H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-/m1/s1

0 references

InChIKey

DJGOPHAVPKQDCJ-DBXCXYEUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DJGOPHAVPKQDCJ-DBXCXYEUSA-N

1 reference

(Q104982176)

(2aS)-6beta-[(S)-Oxiranyl]-1,2,2a,2balpha,3,4,4abeta,5,6,7,8b,9,10,10abeta-tetradecahydro-6,8bbeta-dimethylcyclobuta[a]phenanthrene-2abeta,4beta,10beta-triol 10-acetate

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Identifiers

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