(Q105154413)

English

(4R,4aS,6aS,6aS,6bR,8aR,9R,12aS,14aR,14bS)-9-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picen-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C1C=CC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CC(O)C5(C)CCC34C)C1C

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isomeric SMILES

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

0 references

found in taxon

Phyllanthus muellerianus

1 reference

stated in

Friedelin derivatives from Phyllanthus muellerianus

Identifiers

InChI

InChI=1S/C30H48O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)13-15-30(8)23-17-25(2,3)18-24(32)28(23,6)14-16-29(22,30)7/h9-10,19,21-24,32H,11-18H2,1-8H3/t19-,21+,22-,23+,24+,26+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

LNNWSVKNXMQWRK-APUVKRQRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LNNWSVKNXMQWRK-APUVKRQRSA-N

(Q105154413)

(4R,4aS,6aS,6aS,6bR,8aR,9R,12aS,14aR,14bS)-9-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picen-3-one

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