(Q105171221)

English

(3S,5S)-3-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl}-5-(2-methylprop-1-en-1-yl)oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C1OC(C=C(C)C)CC1C2CCC3(C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC23C)C

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isomeric SMILES

CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1

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found in taxon

Aucoumea klaineana

1 reference

stated in

Tirucallane and oleanane triterpenes from the resin of Aucoumea klaineana

Identifiers

InChI

InChI=1S/C30H46O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16,19-22,24-25,31H,9-15,17H2,1-7H3/t19-,20+,21+,22+,24+,25-,28-,29+,30-/m1/s1

0 references

InChIKey

MSKJQEMCLDNKCX-PYJLDGLJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MSKJQEMCLDNKCX-PYJLDGLJSA-N

(Q105171221)

(3S,5S)-3-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one

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