(Q105259528)

English

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

chemical compound

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Statements

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4S,4aR,8aS)-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 InChIKey

(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

0 references

isomeric SMILES

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

0 references

found in taxon

Axinyssa

1 reference

stated in

Isothiocyanate sesquiterpenes from a sponge of the genus axinyssa

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-/m1/s1

0 references

InChIKey

SRYJMNDTUAKSRD-QKPAOTATSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRYJMNDTUAKSRD-QKPAOTATSA-N

(Q105259528)

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

Statements

Identifiers

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