(Q105331817)

English

[17-(5,6-Dihydroxy-7,7-dimethyloxepan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] 2-phenylacetate

group of stereoisomers with the chemical formula C₃₈H₅₂O₆

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Statements

group of stereoisomers

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apotirucallane triterpenoid

1 reference

apotirucallane triterpenoid

604.3763893839999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₂O₆

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canonical SMILES

O=C(OC1CC2C(C=CC(=O)C2(C)C)(C)C3CCC4(C(=CCC4C5COC(C)(C)C(O)C(O)C5)C13C)C)CC=6C=CC=CC6

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Identifiers

InChI=1S/C38H52O6/c1-34(2)29-21-31(44-32(41)19-23-11-9-8-10-12-23)38(7)27-14-13-25(24-20-26(39)33(42)35(3,4)43-22-24)36(27,5)17-15-28(38)37(29,6)18-16-30(34)40/h8-12,14,16,18,24-26,28-29,31,33,39,42H,13,15,17,19-22H2,1-7H3

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XNNYLPXZZMDVMN-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XNNYLPXZZMDVMN-UHFFFAOYSA-N

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