(Q105348185)

English

(1S,3aR,4R,7S,8R,8aR)-4-ethoxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,8-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

284.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₃₂O₃

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canonical SMILES

OC1C(CCC(OCC)(C)C2CCC(O)(C)C12)C(C)C

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isomeric SMILES

CCO[C@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2[C@H]1CC[C@]2(C)O

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found in taxon

Acorus calamus

1 reference

stated in

Two new sesquiterpenes from Acorus calamus

Identifiers

InChI

InChI=1S/C17H32O3/c1-6-20-17(5)10-7-12(11(2)3)15(18)14-13(17)8-9-16(14,4)19/h11-15,18-19H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17+/m0/s1

0 references

InChIKey

YGOHZWXICDKWGL-MHKQFDIHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGOHZWXICDKWGL-MHKQFDIHSA-N

(Q105348185)

(1S,3aR,4R,7S,8R,8aR)-4-ethoxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,8-diol

Statements

Identifiers

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