(Q105004339)

English

3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[3a,5a,9b-trimethyl-3-(6-methylhept-5-en-2-yl)-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

470.412380968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₄O₂

0 references

canonical SMILES

O=C(OCCCC1C(=C(C)C)CCC2C1(C)CCC3(C)C(CCC23C)C(C)CCC=C(C)C)C

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isomeric SMILES

CC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]([C@H](C)CCC=C(C)C)CC[C@]21C

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found in taxon

common sunflower

1 reference

stated in

Helianol(3,4-seco-19(10.RAR.9)abeo-8.ALPHA.,9.BETA.,10.ALPHA.-eupha-4,24-dien-3-ol), a Novel Triterpene Alcohol from the Tabular Flowers of Helianthus annuus L.

Identifiers

InChI

InChI=1S/C32H54O2/c1-22(2)12-10-13-24(5)27-17-18-32(9)29-16-15-26(23(3)4)28(14-11-21-34-25(6)33)30(29,7)19-20-31(27,32)8/h12,24,27-29H,10-11,13-21H2,1-9H3/t24-,27+,28-,29+,30+,31+,32-/m1/s1

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InChIKey

FXXCHJHHOYCYGY-WIZFRBBASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FXXCHJHHOYCYGY-WIZFRBBASA-N

1 reference

(Q105004339)

3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl acetate

Statements

Identifiers

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