(Q105352729)

English

(1S,4S,4aR,7R)-7-hydroxy-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-3,4a,5,6-tetrahydro-2H-naphthalene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

323.15551466 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₅NO₃S

0 references

canonical SMILES

O=C(O)C1(C2=CC(O)(C)CCC2C(N=C=S)(C)CC1)C(C)C

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isomeric SMILES

CC(C)[C@@]1(C(=O)O)CC[C@](C)(N=C=S)[C@@H]2CC[C@@](C)(O)C=C21

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found in taxon

Axinyssa

1 reference

stated in

Isothiocyanate sesquiterpenes from a sponge of the genus axinyssa

Identifiers

InChI

InChI=1S/C17H25NO3S/c1-11(2)17(14(19)20)8-7-16(4,18-10-22)12-5-6-15(3,21)9-13(12)17/h9,11-12,21H,5-8H2,1-4H3,(H,19,20)/t12-,15-,16+,17+/m1/s1

0 references

InChIKey

YRDIFUBGWKWYME-VZEFYGNVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YRDIFUBGWKWYME-VZEFYGNVSA-N

(Q105352729)

(1S,4S,4aR,7R)-7-hydroxy-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-3,4a,5,6-tetrahydro-2H-naphthalene-1-carboxylic acid

Statements

Identifiers

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