(Q104397548)

English

(1R,2R,4aS,8S,8aS)-8-[(2R,5S)-5-chloro-2,6,6-trimethyloxan-2-yl]-1-isocyano-2-methyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,2R,4aS,8S)-8-[(2R,5S)-5-chloro-2,6,6-trimethyloxan-2-yl]-1-isocyano-2-methyl-5-methylidene-octahydronaphthalen-2-ol

1 reference

based on heuristic

inferred from SMILES

mass

365.212156944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂ClNO₂

0 references

canonical SMILES

[C-]#[N+]C1C2C(C(=C)CCC2C3(OC(C)(C)C(Cl)CC3)C)CCC1(O)C

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isomeric SMILES

[C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)C(=C)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1

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found in taxon

Acanthella cavernosa

1 reference

stated in

Anthelmintic polyfunctional nitrogen-containing terpenoids from marine sponges

Acanthella

1 reference

stated in

Kalihinols, multifunctional diterpenoid antibiotics from marine sponges Acanthella spp

Acanthella pulcherrima

1 reference

stated in

New diterpene isonitriles from the sponge Phakellia pulcherrima

Identifiers

InChI

InChI=1S/C21H32ClNO2/c1-13-7-8-15(21(5)12-10-16(22)19(2,3)25-21)17-14(13)9-11-20(4,24)18(17)23-6/h14-18,24H,1,7-12H2,2-5H3/t14-,15+,16+,17+,18-,20-,21-/m1/s1

0 references

InChIKey

WNCZWKCUIVEIGJ-PGWLQFJSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WNCZWKCUIVEIGJ-PGWLQFJSSA-N

1 reference

(Q104397548)

(1R,2R,4aS,8S,8aS)-8-[(2R,5S)-5-chloro-2,6,6-trimethyloxan-2-yl]-1-isocyano-2-methyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol

Statements

Identifiers

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