(Q105351006)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

4,4,6b,8a,11,12,12a,12b,14b-nonamethyl-2,4a,5,7,8,9,10,11,12,13,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

438.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O

0 references

canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC5(C)CCC(C)C(C)C5(C)C4(C)CC3

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isomeric SMILES

C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@]12C

0 references

found in taxon

Schinus terebinthifolius

1 reference

stated in

Terebenthifolic acid and bauerenone: New triterpenoid ketones from Schinus terebenthifolius

Identifiers

InChI

InChI=1S/C31H50O/c1-20-12-15-27(5)18-19-29(7)23-10-11-24-26(3,4)25(32)14-16-28(24,6)22(23)13-17-30(29,8)31(27,9)21(20)2/h10,20-22,24H,11-19H2,1-9H3/t20-,21+,22+,24+,27-,28-,29-,30-,31-/m1/s1

0 references

InChIKey

YNMPWACPSOOOBC-AAJXVYPRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YNMPWACPSOOOBC-AAJXVYPRSA-N

(Q105351006)

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

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