(Q105160053)

English

(3R,4aS,6aR,6bS,8aR,12aR,14aS,14bR)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-3,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-2H-picen-1-one

chemical compound

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Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=C1CC(O)C(C)(C)C2CCC3(C)C(CC=C4C5CC(C)(C)CCC5(C)CCC43C)C12C

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

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Catunaregam spinosa

1 reference

Triterpenoids from Randia dumetorum

Identifiers

InChI=1S/C30H48O2/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/h9,20-23,31H,10-18H2,1-8H3/t20-,21-,22-,23+,27+,28+,29+,30-/m0/s1

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LZPGYZAPTONPJS-RFNGXPPXSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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