(Q105162339)

English

(6R)-6-[(3S,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptan-3-one

1 reference

based on heuristic

inferred from SMILES

mass

456.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₂

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canonical SMILES

O=C(CCC(C)C1CCC2(C)C3C(=CCC12C)C4(C)CCC(OC)C(C)(C)C4CC3)C(C)C

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isomeric SMILES

CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C

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found in taxon

Pinus monticola

1 reference

stated in

New Triterpenes from the Bark of Western White Pine (Pinus monticola DOUGL.)

Identifiers

InChI

InChI=1S/C31H52O2/c1-20(2)25(32)12-10-21(3)22-14-18-31(8)24-11-13-26-28(4,5)27(33-9)16-17-29(26,6)23(24)15-19-30(22,31)7/h15,20-22,24,26-27H,10-14,16-19H2,1-9H3/t21-,22-,24-,26+,27+,29-,30-,31+/m1/s1

0 references

InChIKey

MEOZWNSKTPBYPT-JCSDLALOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MEOZWNSKTPBYPT-JCSDLALOSA-N

(Q105162339)

(6R)-6-[(3S,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-one

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Identifiers

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