(Q105259522)

English

(1S,4S,4aR,8aS)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-Isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

1 reference

based on heuristic

inferred from SMILES

mass

263.1707708 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,4aR,8aS)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

10-Isothiocyano-4-cadinene

1 reference

based on heuristic

inferred from InChI

(1R,4R,4aR,8aR)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

1 reference

based on heuristic

inferred from InChI

(1R,6R,7S,10S)-10-Isothiocyanatocadin-4-ene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₅NS

0 references

canonical SMILES

S=C=NC1(C)CCC(C(C)C)C2C=C(C)CCC21

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isomeric SMILES

CC1=C[C@@H]2[C@H](C(C)C)CC[C@](C)(N=C=S)[C@@H]2CC1

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found in taxon

Acanthella cavernosa

1 reference

stated in

A comparison of sesquiterpene scaffolds across different populations of the tropical marine sponge Acanthella cavernosa.

Axinyssa aplysinoides

1 reference

stated in

Axiplyns A–E, new sesquiterpene isothiocyanates from the marine sponge Axinyssa aplysinoides

Identifiers

InChI

InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16-/m0/s1

0 references

InChIKey

SRYJMNDTUAKSRD-JJXSEGSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRYJMNDTUAKSRD-JJXSEGSLSA-N

1 reference

(Q105259522)

(1S,4S,4aR,8aS)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

Statements

Identifiers

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