(Q105288903)

English

(6aR,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one

group of stereoisomers with the chemical formula C₃₀H₅₀O

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C5CC(C)(C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C2C1

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found in taxon

Adiantum capillus-veneris

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stated in

Fern constituents: triterpenoids from Adiantum capillus-veneris

stated in

Fern Constituents: Triterpenoids from Adiantum capillus-veneris.

Identifiers

InChI

InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h20-23H,9-19H2,1-8H3/t20-,21?,22?,23-,27-,28+,29-,30-/m1/s1

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InChIKey

VMCQTVSSRUGULX-IENLRLFDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMCQTVSSRUGULX-IENLRLFDSA-N

(Q105288903)

(6aR,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one

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Identifiers

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