(Q105139410)

English

(1R,3S,4aR,6aR,6aR,6bR,8aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-1,3-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-1,2,3,4a,5,6,7,8,9,10,12b,13,14,14a-tetradecahydropicene-1,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3S,4aS,6aS,6aR,6bR,8aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-1,3-diol

1 reference

1 reference

C₃₀H₅₀O₂

0 references

canonical SMILES

OC1CC(O)C2(C)C(CCC3(C)C2CCC4C5=CC(C)(C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1

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found in taxon

Planchonia careya

1 reference

stated in

New Chemical Constituents sf Planchonia careya. II. Bark Constituents Soluble in Light Petroleum

Identifiers

InChI

InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-24,31-32H,9-17H2,1-8H3/t19-,21+,22-,23-,24+,27+,28+,29+,30-/m0/s1

0 references

InChIKey

KDVPRLJVCKYSQH-GKPLHWAVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KDVPRLJVCKYSQH-GKPLHWAVSA-N

(Q105139410)

(1R,3S,4aR,6aR,6aR,6bR,8aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-1,3-diol

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