(Q105328890)

English

(4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picene-3,3-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picene-3,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OC1(O)CCC2(C)C(CCC3(C)C2CC=C4C5CC(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(=CC[C@@H]4[C@@]5(C)CCC(O)(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

0 references

found in taxon

Aucoumea klaineana

1 reference

stated in

Tirucallane and oleanane triterpenes from the resin of Aucoumea klaineana

Protium heptaphyllum

1 reference

stated in

Triterpenes from the resin of Protium heptaphyllum

Identifiers

InChI

InChI=1S/C30H50O2/c1-24(2)13-14-26(5)15-17-28(7)20(21(26)19-24)9-10-23-27(6)16-18-30(31,32)25(3,4)22(27)11-12-29(23,28)8/h9,21-23,31-32H,10-19H2,1-8H3/t21-,22-,23+,26+,27-,28+,29+/m0/s1

0 references

InChIKey

XJDOOIBHKSEISW-JCGNJDJSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XJDOOIBHKSEISW-JCGNJDJSSA-N

(Q105328890)

(4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picene-3,3-diol

Statements

Identifiers

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